data_2eqz_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 2eqz _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 ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 78' ' ' TYR . 31.9 mtmm -70.39 134.02 47.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.8 mtp -108.65 148.89 29.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -105.88 158.67 16.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.47 -47.14 3.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -50.99 -62.21 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.35 -54.01 3.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -44.97 -49.94 10.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -53.9 -44.86 70.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.4 t -66.92 -49.03 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -61.5 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.5 m -46.22 -41.68 13.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.19 -40.6 96.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.559 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 8.9 mtp-105 -63.97 -55.55 21.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -48.59 -37.75 18.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.74 -38.55 80.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -62.44 -36.2 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -73.15 -33.79 65.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -58.65 -33.92 70.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 2.5 mmmm -97.6 -54.03 3.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.402 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 2.0 m-80 -110.29 67.81 0.5 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.2 Cg_endo -69.82 -23.79 30.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.54 31.36 5.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 42' ' ' PRO . 95.2 t -129.08 138.85 34.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.78 148.97 66.1 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.7 p -132.57 98.79 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' PHE . 19.7 t30 -63.84 87.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' ASN . 15.3 t80 -37.3 -43.61 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.58 -52.21 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.076 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.79 -53.06 9.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 21.3 t80 -45.37 -40.24 7.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -69.94 -43.81 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.17 -33.59 41.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 8.4 ptpt -84.12 -31.14 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 85.0 m -76.48 -62.73 1.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -44.72 -48.18 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -61.68 -28.69 69.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -80.1 -17.62 52.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.404 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 74.1 t-105 -80.46 -40.28 26.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -73.97 -33.1 63.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.8 p -77.47 -13.78 59.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.8 mtp -71.87 157.14 38.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 63' ' ' GLU . 1.8 t -102.8 143.45 32.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -35.72 -36.94 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -61.94 -46.78 87.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.692 0.282 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 60' ' ' SER . 5.5 mp0 -67.28 -44.72 78.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 70.7 mttt -60.32 -25.3 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -44.66 -53.98 6.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.504 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 14.2 ptmt -45.5 -40.53 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.504 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 78.5 m-85 -89.37 -13.0 38.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -75.77 -45.5 35.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -60.89 -40.98 95.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.4 mtm -66.26 -57.7 6.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.817 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.45 -48.79 68.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -49.28 -33.62 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.68 -19.48 27.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -73.63 -17.26 61.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -88.38 -33.39 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 p -80.15 -33.38 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -69.04 -49.5 56.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.437 ' CD1' ' HG3' ' A' ' 19' ' ' LYS . 57.3 t80 -63.04 -42.56 99.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -56.1 -47.09 78.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 mtm105 -65.88 -39.54 90.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.66 -39.05 83.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.0 mmt -63.42 -32.7 74.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -58.96 -45.46 90.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.53 -38.85 54.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -64.43 -61.15 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.552 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -112.66 116.21 29.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.744 0.307 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.432 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 3.6 mtm -99.82 158.18 15.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 22' ' ' ALA . 7.0 m -110.08 159.21 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.46 ' N ' ' HB3' ' A' ' 71' ' ' ALA . . . -36.32 -47.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.072 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -53.95 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.43 -43.6 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.114 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -53.9 -43.59 69.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -61.77 -47.67 84.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.26 -41.81 88.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -64.72 -48.93 72.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.1 m -53.92 -53.53 51.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.4 t -53.72 -41.05 66.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.568 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 14.8 mtt180 -60.51 -42.74 97.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -60.26 -43.6 96.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -59.28 -30.56 68.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -67.57 -63.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -41.76 -58.09 2.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.81 -33.98 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -91.16 -61.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.446 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 6.1 m-80 -109.38 70.51 0.47 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -14.88 36.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.381 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -113.48 24.96 11.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 42' ' ' PRO . 57.9 t -128.99 137.68 31.54 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.663 0.744 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.46 ' HD2' ' CG1' ' A' ' 41' ' ' VAL . 53.4 Cg_endo -69.75 163.52 37.96 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.36 104.96 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -68.5 91.68 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -40.1 -53.05 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.72 -38.64 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -89.88 -58.31 2.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 23.2 t80 -41.72 -33.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.64 -44.39 57.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.27 -29.66 6.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 3.9 ptpp? -88.98 -30.75 18.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 80.4 m -73.46 -64.19 1.04 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.3 p -44.58 -49.56 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -59.82 -27.28 66.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' CYS . 27.5 mtt180 -80.83 -21.62 40.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -76.43 -40.9 49.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -73.74 -29.2 62.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.8 p -78.13 -30.33 49.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.9 mtp -62.17 152.23 33.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 p -95.93 151.85 19.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -38.62 -32.35 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -60.03 3.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -55.48 -36.35 66.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 65' ' ' SER . 73.6 mttt -67.26 -43.18 82.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' LYS . 5.8 t -35.83 -49.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' SER . 12.5 tttt -37.64 -50.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -89.15 -26.72 21.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -53.32 -41.42 65.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -72.81 -43.73 62.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 72.6 mtm -59.88 -38.14 81.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.46 ' HB3' ' N ' ' A' ' 22' ' ' ALA . . . -65.35 -47.48 76.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -53.98 -23.04 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.67 -14.92 18.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.08 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 20' ' ' MET . 4.4 t70 -65.72 -23.27 66.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -83.38 -45.07 14.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p -74.7 -32.22 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.408 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.1 tmm_? -70.35 -40.11 74.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.552 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 88.5 t80 -68.84 -45.75 70.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.987 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -50.03 -51.54 41.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -60.69 -37.8 82.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.15 -44.49 94.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.505 ' SD ' ' CZ ' ' A' ' 78' ' ' TYR . 63.6 mmm -60.95 -33.87 73.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -53.19 -38.04 62.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.89 -45.77 26.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -60.05 -58.69 7.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.442 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.515 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.414 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 31.8 mtmm -108.83 135.68 49.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.5 mtp -112.71 130.94 55.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' ALA . 26.3 m -86.04 154.06 21.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -36.14 -44.07 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -57.75 -57.77 11.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.56 -55.11 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -43.06 -48.68 6.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -55.95 -50.13 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 67.9 t -59.1 -40.72 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -65.02 -48.35 74.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 33.1 m -58.93 -52.71 64.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.4 m -52.16 -40.85 62.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.566 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 16.3 mtp180 -59.59 -51.54 69.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -57.81 -39.02 76.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -66.66 -31.19 71.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -71.87 -42.21 67.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -52.68 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.6 -27.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 18.4 mtpp -100.25 -56.4 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -108.73 70.66 0.4 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.74 -22.75 31.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -85.56 -23.25 27.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.0 t -94.07 131.23 32.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.662 0.744 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 179.79 3.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.0 p -140.05 109.35 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' GLU . 24.8 m-20 -67.13 81.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 44' ' ' ASN . 13.7 t80 -34.53 -53.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.45 -45.34 9.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' ASN . 8.8 mm-40 -84.2 -56.21 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 30.8 t80 -40.49 -33.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t -78.01 -41.93 34.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -55.57 -29.18 58.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -92.04 -34.25 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.468 ' SG ' ' CZ ' ' A' ' 48' ' ' PHE . 13.5 m -64.71 -36.27 83.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 m -69.97 -53.77 16.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.45 -27.56 64.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -73.46 -32.73 64.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -65.73 -49.98 66.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -65.23 -38.11 89.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.2 p -71.06 -32.83 69.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.3 mtp -52.43 159.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' GLY . 8.4 t -100.62 143.62 30.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -34.49 -41.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -58.76 -55.4 35.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.736 0.303 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -58.62 -34.08 70.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 65' ' ' SER . 68.5 mttt -69.92 -45.22 67.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' LYS . 68.1 m -36.13 -47.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -41.61 -47.65 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -92.37 -24.75 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -59.84 -25.39 64.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -87.15 -37.36 17.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 34.6 mtm -65.68 -49.94 66.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.96 -48.95 74.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -46.22 -40.92 12.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.85 -13.63 41.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.064 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -76.05 -20.86 57.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -87.08 -36.32 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 p -80.78 -34.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -44.44 81.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.515 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 88.9 t80 -62.98 -47.61 82.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -46.89 -55.85 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -63.23 -36.91 85.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.36 -38.96 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 mmt -71.98 -24.27 61.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -72.59 -37.65 68.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.39 -41.08 20.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -63.64 -52.55 60.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.55 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -60.82 133.79 56.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 75.6 mtp -81.47 163.2 22.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 22' ' ' ALA . 37.1 m -118.66 153.12 34.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -34.04 -52.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -55.93 -63.16 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.03 -45.46 7.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.049 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -55.04 -38.59 68.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -65.1 -42.19 94.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.13 -41.1 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -67.14 -51.63 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.3 m -49.82 -52.17 34.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 m -58.24 -37.27 74.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -62.89 -48.72 77.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -55.39 -40.58 71.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -68.24 -35.24 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.411 ' NE2' ' HB ' ' A' ' 43' ' ' VAL . 17.7 t60 -65.2 -39.84 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -73.87 -44.95 53.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -53.33 -36.5 61.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 36.3 mttp -93.45 -57.03 2.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.409 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 12.1 m-80 -109.24 68.87 0.4 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.42 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.7 Cg_endo -69.75 -28.11 25.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.334 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.41 37.06 2.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.409 ' CG2' ' HB3' ' A' ' 38' ' ' ASN . 93.0 t -132.99 135.45 25.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 111.143 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 141.96 46.75 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 45' ' ' PHE . 7.5 p -124.46 101.59 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 47' ' ' GLU . 2.2 m-20 -57.04 80.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' VAL . 6.8 t80 -35.68 -60.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.71 -40.71 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' ASN . 12.2 mt-10 -83.63 -63.0 1.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -42.36 -24.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -85.62 -43.31 13.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -52.7 -29.29 25.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -37.21 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.3 m -60.6 -54.67 42.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.2 p -56.63 -59.95 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -50.32 -32.03 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -70.8 -30.2 66.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.402 ' CH2' ' HG2' ' A' ' 64' ' ' LYS . 76.8 t-105 -68.97 -57.65 5.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -56.28 -35.51 67.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.1 p -72.21 -33.65 67.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.3 mtp -56.87 170.51 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.7 t -106.91 165.76 11.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.07 -41.95 30.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.475 ' N ' ' HE3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.27 -54.5 36.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.748 0.308 . . . . 0.0 110.96 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -51.67 -33.23 32.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' SER . 78.5 mttt -80.33 -36.67 33.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 68' ' ' ASP . 3.5 t -37.88 -57.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.481 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 18.5 ptmt -41.24 -44.12 2.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.481 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 86.7 m-85 -82.29 -21.02 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' SER . 14.5 t0 -66.38 -58.25 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -49.92 -43.88 50.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.3 mtm -57.24 -52.85 63.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.6 91.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -44.01 -46.69 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.23 -46.27 64.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -49.95 -44.81 50.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.15 -47.78 77.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.2 t -55.02 -52.09 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -51.35 -59.28 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.55 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 44.3 t80 -50.98 -49.81 59.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -46.28 -55.64 6.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -57.54 -44.21 84.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.0 -19.44 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.6 mmt -82.68 -34.25 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -62.77 -47.96 81.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -68.49 -44.44 74.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -56.0 -63.09 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.431 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 38.6 mtmt -76.0 130.97 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 68.9 mtp -101.84 140.14 36.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' ALA . 49.6 m -98.51 148.87 23.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -34.26 -47.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.085 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -56.03 -54.61 42.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.77 -48.35 66.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -48.44 -42.01 31.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -61.91 -51.47 68.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.3 t -58.99 -46.34 91.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -62.57 -56.33 18.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 90.4 m -51.13 -50.6 58.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.38 -40.11 67.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.549 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 34.4 mtp180 -61.42 -52.6 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -56.15 -37.98 70.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -63.28 -38.46 91.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -65.06 -57.26 9.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -58.18 -47.55 83.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -47.17 -31.63 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -93.76 -60.56 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -108.16 70.41 0.35 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.671 0.748 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.3 Cg_endo -69.73 -6.28 18.21 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.388 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -100.02 -21.8 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.466 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 1.8 p -94.89 136.7 22.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.612 0.72 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.76 172.24 13.0 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 45' ' ' PHE . 7.4 p -138.94 105.33 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' PHE . 35.4 t-20 -61.48 76.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' VAL . 29.4 t80 -34.52 -53.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.85 -50.92 5.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 49' ' ' SER . 6.5 mt-10 -79.12 -55.68 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.549 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 1.7 t80 -42.22 -23.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.1 t -83.67 -48.68 9.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -55.59 -21.01 15.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.402 ' HD3' ' CD ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -91.98 -30.73 15.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.22 -51.22 12.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.6 p -49.98 -61.02 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -52.79 -36.98 59.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.402 ' CD ' ' HD3' ' A' ' 51' ' ' LYS . 8.8 mtp85 -65.6 -25.73 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.479 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 72.1 t-105 -72.19 -39.81 68.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -76.68 -30.61 56.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.5 p -77.75 -31.73 52.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.3 mtp -56.34 169.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.8 t -113.6 152.33 30.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -43.39 -31.09 1.44 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -67.76 -48.4 66.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.706 0.289 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -71.11 -29.0 64.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 66.3 mttt -72.61 -44.17 62.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' LYS . 69.6 m -35.52 -43.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -42.38 -49.83 5.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -91.89 -31.44 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -51.99 -38.78 57.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.46 -44.22 52.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 60.3 mtm -57.82 -47.41 82.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.14 -52.22 65.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -43.7 -42.8 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.48 -42.26 62.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.055 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -56.67 -43.83 80.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -62.53 -31.41 72.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.1 t -77.71 -54.9 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -49.52 -35.23 19.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.431 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 28.3 t80 -68.43 -55.74 10.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -41.73 -46.76 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 80' ' ' ARG . 10.3 mtp-105 -63.03 -42.38 99.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -60.82 -38.61 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.6 mmt -63.8 -34.33 77.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -54.08 -55.02 31.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.49 -46.2 73.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -50.72 -59.98 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -76.21 134.31 39.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.0 mtm -124.36 165.35 17.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.8 m -108.27 158.66 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.78 -41.69 1.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -57.3 -56.85 16.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.35 -59.28 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -38.69 -49.09 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -55.29 -46.99 76.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.76 -49.11 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -51.92 65.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 90.7 m -54.85 -43.89 73.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.7 m -60.75 -37.06 80.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.506 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 8.1 mtp-105 -63.03 -48.95 76.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -57.02 -42.46 80.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.56 -39.91 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.401 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 11.8 t60 -64.64 -64.54 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -51.42 -40.22 58.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -51.43 -37.19 47.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 1.2 mptm? -94.52 -58.8 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -108.07 70.53 0.34 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.665 0.745 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.419 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.2 Cg_endo -69.81 -25.83 27.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -77.98 -29.48 49.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.431 ' CG1' ' HD2' ' A' ' 42' ' ' PRO . 91.3 t -88.84 137.53 29.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.431 ' HD2' ' CG1' ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.72 170.07 17.4 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 45' ' ' PHE . 6.6 p -131.55 92.29 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -53.73 85.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' VAL . 9.9 t80 -38.35 -48.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.03 -47.63 16.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -81.69 -55.19 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.506 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 16.7 t80 -40.92 -38.01 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.76 -46.46 53.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.94 -33.08 10.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -83.12 -31.22 27.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 55' ' ' ARG . 56.1 m -84.57 -65.1 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . 18.9 p -36.72 -49.09 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.64 -38.47 91.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 52' ' ' CYS . 10.5 mtp180 -68.38 -18.31 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -78.29 -40.36 37.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -33.33 60.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.2 p -79.35 -5.12 53.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.5 mtp -82.52 156.32 24.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 73.3 m -93.78 162.24 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.39 -35.75 36.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -65.69 -52.05 54.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.14 -39.61 69.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -72.0 -32.41 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 68' ' ' ASP . 19.3 t -40.99 -54.21 2.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 67' ' ' PHE . 16.5 ptmt -43.52 -44.77 6.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.412 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 63.4 m-85 -84.87 -18.59 34.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' SER . 16.0 t0 -68.18 -48.58 64.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -62.99 -38.62 91.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.0 mtm -65.13 -47.91 75.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.33 70.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -48.15 -50.33 29.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.3 -51.99 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.055 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -42.86 -41.41 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -60.84 -43.25 98.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.8 t -70.85 -56.0 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -47.81 -36.2 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.483 ' CE2' ' HG3' ' A' ' 82' ' ' MET . 24.0 t80 -73.51 -49.29 27.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.25 -47.23 18.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -74.77 -53.89 8.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.465 ' CA ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -45.92 -40.08 9.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.483 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 87.6 mmm -75.82 -27.35 57.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -69.35 -26.54 64.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -92.2 -34.88 14.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -64.88 -47.95 75.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -77.98 141.6 38.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.445 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 6.6 mtm -98.2 163.06 12.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 24' ' ' ALA . 49.1 m -104.77 150.53 24.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -36.11 -45.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -56.35 -44.19 79.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 21' ' ' SER . . . -56.77 -54.47 45.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -45.08 -40.37 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.71 -43.28 99.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -66.97 -46.51 84.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -56.37 -41.9 76.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.7 m -64.23 -53.09 54.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.5 t -51.77 -38.68 56.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -63.13 -55.12 27.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -35.4 61.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -64.43 -41.73 96.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -62.01 -44.86 95.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -66.13 -39.24 89.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -48.8 -35.0 13.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -96.94 -54.81 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -109.61 70.06 0.48 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.632 0.729 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -15.14 37.11 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.272 . . . . 0.0 112.331 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.02 32.9 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 42' ' ' PRO . 99.4 t -134.37 138.96 31.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.596 0.712 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.82 153.51 68.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.292 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 45' ' ' PHE . 6.0 p -132.17 93.88 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' PHE . 14.7 m-20 -52.52 86.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' VAL . 7.2 t80 -34.44 -46.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.41 -59.65 3.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.067 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -65.99 -53.41 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CE2' ' SG ' ' A' ' 52' ' ' CYS . 70.3 t80 -44.24 -64.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.65 -46.55 7.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -49.13 -37.15 21.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -77.69 -28.64 51.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.6 ' SG ' ' CE2' ' A' ' 48' ' ' PHE . 4.4 m -80.79 -65.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.1 p -44.68 -51.44 9.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.44 ' O ' ' CG2' ' A' ' 58' ' ' THR . 11.5 mt-10 -57.13 -30.99 64.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -78.53 -25.7 45.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -66.4 -47.49 73.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -68.78 -33.47 73.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 33.0 p -73.04 -32.57 65.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.4 mtp -58.79 160.5 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.8 m -109.99 157.45 19.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -45.88 -33.98 5.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 10.7 ptpp? -63.37 -44.08 95.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 37.9 mm-40 -78.74 -31.35 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' SER . 60.7 mttt -71.03 -40.47 71.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 64' ' ' LYS . 13.9 m -35.7 -45.51 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -43.55 -47.98 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -90.26 -28.6 18.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -52.23 -42.94 64.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -66.74 -52.22 46.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.0 mtm -51.87 -38.25 55.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.41 ' HB2' ' CA ' ' A' ' 22' ' ' ALA . . . -67.89 -47.71 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -42.66 -35.29 1.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.02 -35.76 16.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.1 OUTLIER -45.12 -43.03 9.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 17.7 ttpt -69.32 -45.04 70.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 86.1 t -58.53 -44.4 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -55.59 -61.11 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 81' ' ' GLU . 34.4 t80 -64.07 -57.78 8.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' TYR . 27.4 t70 -36.62 -59.87 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -59.41 -33.35 71.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 78' ' ' TYR . 21.2 mm-40 -70.19 -29.76 66.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.2 mmt -72.74 -29.81 63.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -61.94 -41.39 97.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.78 -45.56 57.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -63.38 -59.2 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.504 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -73.56 141.8 46.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.779 0.323 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.424 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 5.9 mtm -111.97 155.77 23.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.7 m -98.55 156.95 16.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.03 -40.44 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -63.58 -53.69 47.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.25 -52.25 59.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 15.8 m-85 -47.9 -42.06 26.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -60.05 -37.56 80.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -69.7 -48.47 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -61.71 -44.08 97.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.2 m -60.58 -58.4 8.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.09 -43.26 30.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -58.52 -54.31 48.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -55.49 -36.64 66.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -72.2 -39.98 68.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.415 ' NE2' ' HB ' ' A' ' 43' ' ' VAL . 12.7 t60 -55.72 -39.5 71.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -72.39 -40.6 67.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.19 -36.51 52.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -95.21 -53.84 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -110.76 67.11 0.53 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.5 Cg_endo -69.72 -18.15 37.34 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -108.8 26.48 10.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.1 t -126.39 132.88 24.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 139.3 39.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.415 ' HB ' ' NE2' ' A' ' 34' ' ' HIS . 7.3 p -118.21 99.05 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 45' ' ' PHE . 79.2 m-20 -64.13 87.98 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 44' ' ' ASN . 6.9 t80 -36.26 -46.43 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.89 -46.88 43.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 44' ' ' ASN . 8.0 mt-10 -79.25 -58.3 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.46 ' O ' ' CG ' ' A' ' 51' ' ' LYS . 43.3 t80 -42.75 -43.8 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -51.94 50.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -45.87 -32.83 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -88.69 -29.11 20.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 53' ' ' SER . 1.4 p -59.07 -44.81 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.495 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 4.4 t -68.99 -53.85 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.17 -24.84 63.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -80.05 -33.02 39.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.511 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 69.6 t-105 -63.12 -47.86 80.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -62.28 -31.32 71.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -77.59 -29.62 52.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 67.1 mtp -62.52 149.03 44.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -103.92 161.86 13.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.09 -37.2 10.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -58.81 -31.38 68.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -91.64 -47.02 7.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 75.3 mttt -56.75 -35.99 69.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -34.86 -60.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -38.7 -50.02 1.61 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -90.0 -10.55 44.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' SER . 4.9 t70 -72.91 -36.96 67.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -79.64 -43.06 23.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 67.4 mtm -58.36 -46.13 86.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.7 68.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -51.98 -39.0 58.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.9 -41.59 22.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.09 -42.05 80.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -66.41 -44.5 82.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.7 -50.71 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 3.9 tmm_? -51.39 -45.33 62.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -64.07 -49.57 71.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.51 -46.47 70.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -64.56 -45.62 86.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -62.93 -36.54 83.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.4 mmt -62.88 -31.77 72.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -61.42 -51.44 68.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.51 -42.78 61.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -56.79 -61.85 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.472 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 8.5 mtmp? -70.85 134.41 47.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.726 0.298 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.6 mtm -123.48 159.25 29.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' ALA . 5.6 m -105.53 158.71 16.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -36.13 -48.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -57.12 -44.88 83.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' SER . . . -59.34 -50.93 72.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -50.53 -50.82 52.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.452 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 45.9 t80 -51.86 -35.38 44.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.3 -55.47 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -50.99 -47.99 61.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.2 m -58.85 -62.15 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.452 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 30.9 m -44.21 -32.12 1.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.534 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 38.4 mtp180 -71.89 -47.92 49.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -55.75 -38.66 70.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.86 -38.38 90.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.563 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 11.6 t60 -67.32 -37.27 83.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -78.4 -28.06 46.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -64.83 -31.78 73.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -100.71 -49.08 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -117.0 68.16 4.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -26.33 27.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.657 2.238 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -76.57 -34.78 58.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.6 t -81.32 132.31 56.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.638 0.732 . . . . 0.0 111.184 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 156.38 63.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.394 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.563 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 3.4 p -116.69 107.17 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -65.95 85.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -39.91 -49.99 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.47 -48.97 10.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' SER . 23.2 mm-40 -82.87 -57.9 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.534 ' CZ ' ' CG ' ' A' ' 31' ' ' ARG . 3.2 t80 -39.44 -28.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -78.75 -45.88 20.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.1 tmmt? -49.32 -28.75 5.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -22.19 24.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.496 ' SG ' ' N ' ' A' ' 53' ' ' SER . 1.3 p -68.79 -44.55 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.496 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 3.2 t -61.21 -54.46 44.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -57.87 -32.18 67.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 mtp85 -75.13 -25.81 58.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.405 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 75.9 t-105 -78.13 -47.29 18.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -66.27 -36.13 82.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.2 p -75.83 -23.72 55.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 26.4 mtp -69.73 148.52 49.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.6 t -91.87 164.81 13.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.1 -26.62 12.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -49.49 47.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.73 0.3 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -67.49 -19.51 65.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 65' ' ' SER . 70.5 mttt -89.47 -43.18 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' LYS . 55.5 m -37.64 -49.57 1.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -41.41 -48.89 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -86.02 -23.15 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -59.69 -36.72 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -78.96 -32.27 45.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.0 mtm -70.77 -33.93 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.56 87.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -64.36 -43.52 94.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.99 -28.09 68.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -70.59 -24.87 62.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -83.42 -45.33 13.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.03 -33.66 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.407 ' HD3' ' C ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -73.25 -48.0 38.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.427 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 19.5 t80 -67.02 -41.02 87.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.35 -54.0 30.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -64.36 -56.39 14.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.463 ' CA ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -50.97 -17.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.409 ' CG ' ' CE1' ' A' ' 78' ' ' TYR . 10.7 mmt -86.98 -38.23 16.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -74.46 -15.41 60.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -98.5 -27.11 14.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -83.91 -42.62 16.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -62.32 115.0 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 45.1 mtp -92.11 137.73 32.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.9 m -93.25 154.15 18.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . . . -40.62 -42.22 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -55.69 -48.32 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.08 -58.79 6.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.062 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -40.34 -42.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.85 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.58 -50.32 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -57.64 -48.15 80.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.1 m -56.23 -59.59 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 t -50.38 -38.08 40.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 54.7 mtm180 -61.79 -52.31 64.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -56.89 -44.7 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.49 -37.49 81.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -61.21 -47.08 87.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 30.5 tttt -71.34 -56.47 5.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' LYS . 16.9 mmmt -35.2 -36.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' LYS . 52.9 mttm -94.77 -60.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -108.18 73.26 0.44 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.643 0.735 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -31.63 20.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.85 -39.18 80.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.9 t -82.61 123.39 78.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -179.67 3.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.284 . . . . 0.0 112.358 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' PHE . 3.5 p -141.31 105.0 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' PHE . 8.5 t30 -58.43 81.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 43' ' ' VAL . 17.0 t80 -36.78 -54.61 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -38.89 -44.34 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' SER . 8.8 mt-10 -88.28 -58.81 2.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -41.2 -26.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -77.55 -44.96 26.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.822 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 47' ' ' GLU . 2.4 tppp? -59.27 -34.38 72.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -21.73 43.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -84.19 -55.09 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 76.1 p -50.49 -46.96 57.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -65.81 -37.78 87.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -65.6 -23.63 66.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.451 ' CZ2' ' HB3' ' A' ' 22' ' ' ALA . 67.2 t-105 -70.76 -47.0 61.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -69.61 -34.9 74.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 39.1 p -70.69 -27.08 63.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.3 mtp -61.44 163.98 6.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -107.21 152.99 23.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -36.77 -44.16 0.9 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -61.49 -55.02 35.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.322 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.23 -29.48 61.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' SER . 72.8 mttt -77.87 -39.94 41.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' LYS . 14.7 m -34.99 -51.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.543 ' HD2' ' CZ ' ' A' ' 67' ' ' PHE . 1.5 tmtp? -39.68 -50.77 2.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.543 ' CZ ' ' HD2' ' A' ' 66' ' ' LYS . 33.2 m-85 -92.24 -14.47 28.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.429 ' CB ' ' HA ' ' A' ' 65' ' ' SER . 9.1 t0 -66.55 -38.59 87.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -81.49 -25.02 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.1 mtm -78.97 -27.07 43.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.26 -31.21 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -66.3 -36.06 81.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.88 -39.95 25.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -38.98 -42.57 0.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -56.12 -46.18 79.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.49 -52.53 60.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.422 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.3 tmm_? -53.12 -48.32 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -59.05 -48.14 82.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -48.89 -44.53 40.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.807 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -67.13 -33.83 76.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.86 -34.8 72.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.9 mmt -64.65 -31.41 72.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -64.86 -55.2 20.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.89 -49.25 78.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -56.85 -52.11 66.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -61.0 125.7 24.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 71.8 mtp -106.36 157.12 17.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 m -112.81 156.11 23.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' N ' ' HB1' ' A' ' 71' ' ' ALA . . . -37.66 -52.69 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -50.18 -51.49 43.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' PHE . . . -51.64 -63.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' ALA . 45.6 m-85 -38.22 -48.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.63 -44.96 73.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 24' ' ' ALA . 95.6 t -65.95 -42.43 91.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -61.7 -52.83 62.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.6 m -47.18 -57.75 4.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.0 m -50.04 -47.23 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.548 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 40.6 mtp180 -52.81 -51.09 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -62.69 -42.98 99.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -57.7 -20.09 31.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -90.56 -46.65 8.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -68.27 -51.63 42.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -39.52 -37.69 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' O ' ' CD ' ' A' ' 39' ' ' PRO . 9.6 mmtm -94.94 -58.48 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -107.47 72.21 0.34 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.418 ' CD ' ' O ' ' A' ' 37' ' ' LYS . 54.4 Cg_endo -69.69 -28.38 25.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.361 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -73.33 -34.79 65.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.3 t -86.16 123.47 71.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.729 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 175.82 7.56 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -132.63 118.45 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' PHE . 4.8 m-80 -66.86 77.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' ASN . 14.1 t80 -34.88 -50.09 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.97 -48.54 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -85.14 -52.75 5.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.548 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 20.1 t80 -45.02 -25.54 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -82.57 -43.4 17.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -56.18 -26.65 51.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -90.6 -33.46 15.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 54.3 m -69.62 -57.94 4.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.7 t -53.37 -54.76 32.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.43 ' O ' ' CG2' ' A' ' 58' ' ' THR . 35.2 mm-40 -55.26 -26.6 40.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -79.75 -28.5 40.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -65.25 -49.5 69.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -65.14 -30.02 70.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 60.2 p -73.56 -35.5 65.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.1 mtm -63.3 149.02 46.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.2 p -96.69 160.29 14.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.01 -38.98 2.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -55.2 -39.03 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -80.36 -54.31 5.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 65' ' ' SER . 69.3 mttt -51.4 -42.13 61.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -34.95 -53.12 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.429 ' HD3' ' CE ' ' A' ' 70' ' ' MET . 0.6 OUTLIER -40.75 -47.15 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -88.11 -24.23 23.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -55.84 -37.9 69.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -75.26 -45.08 42.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.429 ' CE ' ' HD3' ' A' ' 66' ' ' LYS . 20.2 mtm -53.78 -52.83 59.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.404 ' HB1' ' N ' ' A' ' 22' ' ' ALA . . . -57.11 -48.18 79.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.074 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -46.75 -46.54 20.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -74.51 -45.06 48.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -41.82 -24.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ALA . 6.7 ttpm? -77.21 -53.94 7.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 p -64.26 -29.31 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -72.37 -45.42 59.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -71.43 -47.1 58.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -45.03 -57.28 3.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.9 mtm105 -53.16 -48.37 68.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -53.22 -36.84 61.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.8 mmt -67.75 -29.35 68.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -69.79 -50.03 47.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.84 -45.95 73.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -53.32 -54.15 40.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -91.07 121.55 32.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.4 mtp -72.58 137.62 46.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.5 m -94.34 157.74 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.24 -43.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -58.06 -59.89 4.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.38 -47.44 13.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.065 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -51.07 -43.5 61.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.403 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 34.2 t80 -60.52 -36.58 78.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.5 t -72.29 -39.34 63.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -66.33 -48.52 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.1 m -56.54 -58.48 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.0 m -48.08 -42.23 28.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.563 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 9.5 mtp-105 -58.74 -55.35 36.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -52.47 -41.33 63.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -59.9 -40.79 89.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.489 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 10.8 t60 -59.09 -52.43 65.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' LYS . 23.4 tttt -64.28 -52.08 60.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' LYS . 32.0 mtpt -37.87 -32.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.445 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 9.6 mptt -98.65 -59.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -108.6 74.43 0.54 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -30.54 22.37 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.375 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.75 -29.75 58.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.3 t -87.3 126.28 62.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 155.63 65.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.489 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 2.4 p -111.2 109.87 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' PHE . 10.0 t-20 -64.76 79.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' ASN . 19.1 t80 -37.89 -56.44 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . -37.12 -44.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 49' ' ' SER . 10.8 mm-40 -88.12 -55.46 3.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 7.8 t80 -41.93 -25.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.8 t -81.51 -42.47 20.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -60.1 -28.94 68.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -26.47 25.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.424 ' SG ' ' CE1' ' A' ' 48' ' ' PHE . 36.3 m -77.41 -51.38 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.7 p -51.45 -50.53 59.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.66 -35.85 79.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -73.38 -14.49 61.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.472 ' CZ2' ' HD3' ' A' ' 64' ' ' LYS . 72.6 t-105 -85.23 -51.49 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -64.38 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.9 p -72.97 -34.71 66.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.5 mtp -55.48 169.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 63' ' ' GLU . 2.8 m -118.64 143.74 46.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -34.57 -36.0 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' SER . 62.5 tttt -63.12 -46.35 87.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' SER . 29.8 mm-40 -71.53 -36.23 70.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HD3' ' CZ2' ' A' ' 56' ' ' TRP . 37.0 mttp -68.0 -28.74 67.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 m -41.37 -43.5 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -52.53 -45.2 66.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.426 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 78.6 m-85 -82.42 -17.75 44.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -71.06 -44.35 65.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -66.43 -45.41 79.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.0 mtm -59.06 -42.94 91.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.02 95.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -46.67 -48.49 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.43 94.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -45.94 -44.71 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -61.44 -47.65 84.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.5 t -53.67 -48.66 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 78' ' ' TYR . 5.3 tmm_? -47.31 -53.89 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.444 ' N ' ' HD2' ' A' ' 77' ' ' ARG . 1.4 t80 -52.23 -53.76 39.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -49.62 -57.23 7.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -51.87 -45.23 64.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.89 -29.87 69.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.5 mmt -78.14 -27.0 48.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -62.31 -37.28 84.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.38 -36.56 19.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -68.58 -55.57 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.456 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -77.53 141.55 39.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 63.1 mtp -90.12 138.68 31.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' ALA . 64.1 m -96.88 156.09 16.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -33.66 -50.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -55.81 -51.02 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.25 -57.06 9.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -46.98 -42.38 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.46 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 45.9 t80 -62.3 -44.26 96.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.02 -52.22 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.168 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -55.62 -44.28 76.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -52.36 -55.95 18.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.8 m -57.05 -34.36 68.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.536 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 45.7 mtm180 -66.0 -47.92 72.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -65.13 -41.28 94.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -62.52 -39.71 94.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -63.14 -46.08 88.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -68.08 -33.61 74.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -58.78 -32.32 69.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.62 -53.17 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.4 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . 15.0 m-20 -110.93 68.35 0.59 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.588 0.709 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -9.76 26.9 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.674 2.25 . . . . 0.0 112.36 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.59 -25.04 15.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.453 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 1.8 p -90.88 136.36 27.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.578 0.704 . . . . 0.0 111.162 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.453 ' HD2' ' CG2' ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.8 174.59 9.33 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.5 p -140.51 106.31 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' PHE . 7.2 m-20 -69.16 87.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' ASN . 13.7 t80 -37.31 -53.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.47 -55.15 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -74.52 -56.39 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.536 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 10.3 t80 -42.38 -32.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.93 -40.37 60.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -32.58 61.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 4.3 pttt -81.29 -31.4 33.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 60.3 m -76.48 -59.99 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.0 p -45.54 -44.29 12.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.485 ' O ' ' CG2' ' A' ' 58' ' ' THR . 20.5 mt-10 -69.2 -40.0 78.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -61.21 -32.12 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.432 ' NE1' ' HE2' ' A' ' 64' ' ' LYS . 73.7 t-105 -71.08 -59.71 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -53.73 -29.3 38.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 63.4 p -73.45 -24.67 60.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.421 ' HE2' ' C ' ' A' ' 63' ' ' GLU . 9.1 mmm -48.53 178.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -122.66 30.64 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.42 -64.9 1.37 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -52.07 -21.95 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.421 ' C ' ' HE2' ' A' ' 59' ' ' MET . 38.6 mm-40 -85.97 -32.85 21.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' HE2' ' NE1' ' A' ' 56' ' ' TRP . 92.5 mttt -61.72 -37.91 85.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.1 m -35.62 -51.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 65' ' ' SER . 12.5 tttt -37.47 -47.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 40.4 m-85 -92.63 -28.49 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -56.85 -38.39 72.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.74 -50.64 28.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 30.9 mtm -51.49 -34.56 36.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.04 -45.51 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -46.93 17.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.8 -54.64 24.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -46.96 -41.26 15.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.32 -45.8 92.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.5 t -56.2 -40.18 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -63.39 -53.43 52.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.542 ' CZ ' ' SD ' ' A' ' 82' ' ' MET . 44.8 t80 -59.05 -35.5 73.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.05 -58.13 9.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -63.12 -33.4 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.89 -45.23 94.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.542 ' SD ' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -57.92 -36.63 72.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -61.34 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -60.8 -46.05 92.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -62.28 -68.57 0.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.533 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -84.09 136.37 34.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.769 0.318 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.6 mmm -104.88 147.33 27.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -108.4 159.37 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.5 -44.08 35.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.046 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.472 ' HB2' ' NE1' ' A' ' 56' ' ' TRP . 3.5 t80 -56.65 -46.91 80.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.3 -59.64 4.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.141 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -39.71 -50.19 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -53.21 -41.96 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.6 -51.47 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -52.21 -45.99 65.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -55.34 -52.74 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.5 m -55.78 -37.63 68.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.525 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 18.7 mtp180 -62.35 -53.51 53.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -54.44 -36.58 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -69.05 -33.42 73.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.464 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 11.7 t60 -67.56 -45.3 76.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 35' ' ' LYS . 9.1 tmtt? -70.12 -38.71 75.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -52.92 -26.53 15.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -104.27 -55.56 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.11 73.91 2.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -35.77 12.0 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.2 -33.0 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.8 t -82.89 133.4 48.73 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.646 0.736 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 171.32 14.65 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.709 2.273 . . . . 0.0 112.309 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.464 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 7.2 p -128.61 101.69 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLU . 27.3 m-20 -60.69 82.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' ASN . 15.2 t80 -35.01 -53.31 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.85 -44.32 14.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' LYS . 7.8 mt-10 -85.04 -59.45 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.525 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 12.1 t80 -38.22 -35.95 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -71.04 -43.56 67.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.5 tppp? -47.51 -35.93 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -82.79 -29.29 29.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 18.1 m -90.01 -66.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 49' ' ' SER . 99.2 p -38.93 -54.45 1.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -57.69 -38.87 75.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' CYS . 37.3 mtt180 -67.04 -17.4 64.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.472 ' NE1' ' HB2' ' A' ' 23' ' ' TYR . 73.4 t-105 -80.6 -55.45 4.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -57.26 -28.95 63.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.934 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.6 p -78.17 -31.4 49.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.3 mtp -61.31 156.59 18.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 m -108.0 157.64 18.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -45.11 -40.82 7.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -57.54 -47.39 82.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -70.53 -51.05 31.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -55.65 -19.81 11.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.7 p -47.86 -48.54 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.501 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 19.1 ptmt -46.77 -44.42 19.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.501 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 85.1 m-85 -85.23 -9.98 57.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -74.86 -52.84 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.94 -39.34 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.4 mtm -61.63 -53.01 61.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.02 -41.84 68.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -47.11 -47.11 23.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.94 -40.21 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.04 -32.71 35.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -66.67 -35.96 81.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.83 -48.75 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -58.74 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.533 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 68.8 t80 -48.97 -47.29 44.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.91 -44.99 87.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -64.32 -40.48 95.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.56 -37.27 82.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.1 mmt -62.27 -29.6 70.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -65.98 -53.65 36.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.74 -46.44 72.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -56.84 -47.64 79.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.564 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 16.2 mttp -78.4 133.79 37.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 56.4 mtp -117.95 151.78 36.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 m -98.54 153.07 18.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.63 -39.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -63.71 -55.41 23.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.65 -51.74 20.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -46.19 -44.08 15.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -61.2 -48.49 81.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.5 -42.81 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -65.68 -46.92 77.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.7 m -57.36 -53.39 58.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.4 m -54.93 -36.76 65.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 10.2 mtp-105 -65.06 -54.21 33.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -50.73 -35.6 32.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -68.16 -39.79 82.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.526 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 10.2 t60 -62.24 -50.24 72.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -65.81 -59.05 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' LYS . 40.0 mtpt -34.84 -33.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' LYS . 37.7 mmtt -94.88 -61.81 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -107.79 76.82 0.59 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -32.08 19.26 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.14 -31.88 64.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.2 t -86.3 122.25 72.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 165.5 30.81 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.526 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 3.6 p -121.69 107.59 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' PHE . 1.9 m-20 -60.45 76.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 43' ' ' VAL . 10.5 t80 -35.53 -56.04 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -39.26 -46.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.058 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' SER . 6.1 mt-10 -86.54 -57.46 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 14.0 t80 -41.04 -24.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.1 t -81.64 -41.98 20.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -57.85 -27.05 62.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -32.99 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.0 m -71.27 -48.64 49.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 p -54.09 -56.52 17.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -53.18 -41.62 65.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -61.9 -25.96 67.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -71.56 -45.19 62.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -72.31 -30.13 64.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.5 p -76.63 -30.25 56.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtp -59.49 167.27 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 61' ' ' GLY . 2.6 t -116.77 150.01 38.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -34.35 -37.45 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 60' ' ' SER . 12.4 mmtp -60.55 -57.27 13.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.713 0.292 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -63.13 -35.36 80.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 65' ' ' SER . 54.6 mttt -67.36 -43.53 81.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 64' ' ' LYS . 2.7 t -35.04 -46.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -40.16 -49.73 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -92.6 -28.97 16.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.58 -27.41 26.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -86.08 -40.32 15.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 26.7 mtm -61.34 -45.83 92.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.1 98.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -52.24 -35.1 48.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -86.01 -42.57 13.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -36.87 -29.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 73' ' ' ALA . 9.0 ttpt -71.76 -52.45 17.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 p -66.4 -36.83 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -63.75 -56.89 12.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.564 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 21.4 t80 -62.04 -49.01 77.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -53.93 -50.48 66.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -61.74 -16.74 51.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -95.26 -31.11 13.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 79.4 mmm -80.94 -27.63 36.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -68.52 -26.25 65.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -97.03 -27.73 14.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -75.03 -43.84 51.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.487 ' HB3' ' CG ' ' A' ' 78' ' ' TYR . 11.3 pttm -110.7 124.32 51.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.9 mtp -83.56 154.91 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.57 178.62 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . . . -49.75 -38.85 35.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -67.43 -50.91 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.2 -53.06 62.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -48.08 -41.12 25.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -63.07 -52.01 64.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.2 -46.18 84.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -60.14 -63.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.8 m -41.75 -44.58 3.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.45 -48.57 79.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.489 ' NH2' ' CD1' ' A' ' 45' ' ' PHE . 16.1 mtt180 -52.6 -49.18 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -61.15 -43.29 99.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -62.58 -16.76 57.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.41 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 5.3 t60 -90.14 -49.53 6.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -67.87 -54.35 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -38.74 -35.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 11.4 mtmm -93.03 -56.78 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -108.97 69.15 0.38 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.7 Cg_endo -69.74 -14.47 36.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.643 2.229 . . . . 0.0 112.355 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -89.35 -22.8 22.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -95.94 130.72 30.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 173.53 10.81 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.659 2.24 . . . . 0.0 112.368 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' PHE . 2.7 p -134.55 97.87 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -54.36 83.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' VAL . 12.0 t80 -40.01 -55.35 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.5 -42.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -89.19 -61.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 5.1 t80 -39.16 -32.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -47.01 27.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -56.75 -34.2 67.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -80.3 -32.68 38.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 2.5 m -66.99 -43.15 83.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -60.53 -60.06 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -51.43 -31.89 24.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.9 mtt-85 -71.39 -28.38 63.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.488 ' CZ2' ' HB3' ' A' ' 22' ' ' ALA . 76.8 t-105 -69.65 -46.69 65.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -66.4 -30.91 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.3 p -77.13 -30.3 55.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.9 mtp -56.18 158.1 4.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -104.12 152.01 22.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.56 -30.75 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -57.47 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -58.79 -28.13 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 65' ' ' SER . 67.6 mttt -77.38 -43.53 32.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 64' ' ' LYS . 31.5 t -35.11 -49.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -37.45 -51.01 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -90.2 -41.21 11.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -41.85 -30.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -88.67 -41.48 12.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.5 mtm -61.67 -22.36 65.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.13 -50.02 17.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.87 -39.7 40.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.63 -53.65 12.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -46.96 -41.7 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -55.84 -45.99 78.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.468 HG12 ' CZ ' ' A' ' 80' ' ' ARG . 65.8 t -51.33 -61.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 78' ' ' TYR . 9.1 tpp180 -45.95 -61.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.55 ' CZ ' ' SD ' ' A' ' 82' ' ' MET . 23.4 t80 -50.09 -56.53 10.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.413 ' C ' ' OD1' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -39.63 -60.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.468 ' CZ ' HG12 ' A' ' 76' ' ' VAL . 1.2 mpp_? -57.0 -41.43 78.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.42 ' CD ' ' HD2' ' A' ' 77' ' ' ARG . 30.7 mt-10 -59.6 -38.82 82.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.55 ' SD ' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -65.35 -32.11 73.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -71.81 -41.23 68.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.36 -43.13 52.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -73.51 -55.42 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.518 ' HA2' ' CZ ' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 8.3 mtmp? -114.24 134.79 54.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.6 mtp -85.6 136.31 33.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 m -99.83 152.54 20.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.65 -46.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -50.02 -57.92 6.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.37 -57.27 4.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.092 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 70' ' ' MET . 26.3 m-85 -40.93 -48.86 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -54.48 -43.11 71.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.94 -52.68 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -55.95 -61.04 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 m -49.39 -50.34 40.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.5 m -53.54 -40.8 65.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -61.45 -52.68 63.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -29.85 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -69.76 -45.19 68.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -62.33 -43.55 98.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -73.08 -43.61 61.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.41 -30.55 8.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -99.32 -47.54 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -115.07 66.38 1.96 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.642 0.734 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -5.58 16.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -102.51 -21.65 14.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.464 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 1.8 p -93.7 136.73 23.68 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.78 171.19 14.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.366 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 45' ' ' PHE . 2.2 p -141.59 106.33 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' PHE . 2.8 m120 -59.64 79.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' VAL . 29.5 t80 -35.51 -53.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.42 -44.71 17.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' ASN . 3.3 mm-40 -80.92 -58.28 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 5.7 t80 -41.06 -31.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 t -79.06 -43.13 24.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -29.42 64.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -83.27 -31.64 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.875 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' ARG . 2.0 m -65.26 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 55.2 p -43.24 -44.27 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.86 -29.35 68.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' CYS . 26.4 mtp85 -82.54 -19.64 38.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -76.18 -55.63 5.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -31.41 68.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.1 p -76.48 -31.57 57.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mtp -55.64 164.14 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -105.67 149.3 26.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -38.81 -39.98 0.97 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -61.63 -49.26 77.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -59.74 -36.99 77.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -74.4 -32.72 62.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -39.82 -57.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 14.6 ptmt -46.17 -41.5 12.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.416 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 78.7 m-85 -83.3 -17.95 40.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -67.97 -53.63 24.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.91 -43.74 91.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.476 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 75.2 mtm -57.64 -45.35 85.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.474 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . . . -61.85 -41.53 97.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -49.5 -44.76 46.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.33 -43.77 89.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.42 -21.2 66.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.97 -28.48 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.9 t -84.65 -41.78 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -30.29 66.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.523 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 70.1 t80 -76.88 -52.72 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -47.82 -40.61 21.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -75.1 -51.04 14.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -48.17 -38.4 18.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.9 mmt -66.96 -36.22 81.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -62.62 -40.57 97.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -81.29 -40.54 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -65.5 -55.67 16.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.443 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -65.81 136.88 56.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.4 mtm -112.55 161.07 17.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ALA . 35.2 m -99.67 150.96 21.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -34.2 -41.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.44 ' HB2' ' NE1' ' A' ' 56' ' ' TRP . 4.4 t80 -58.32 -63.05 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.7 -58.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -41.15 -53.17 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -50.81 -48.66 59.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.11 -54.13 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -54.88 20.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.0 m -48.12 -49.04 33.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.0 m -55.01 -48.2 73.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.522 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 9.3 mtp-105 -54.61 -49.23 70.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -59.84 -42.36 93.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -58.25 -23.95 57.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -85.48 -57.12 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.462 ' CD ' ' HA ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -54.85 -45.61 74.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -44.41 -38.03 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 23.9 mtpt -93.05 -58.3 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.418 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 3.6 m-80 -108.68 69.62 0.37 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.583 0.706 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.462 ' HA ' ' CD ' ' A' ' 35' ' ' LYS . 53.6 Cg_endo -69.74 -9.16 25.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -113.48 29.44 7.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.463 ' CG1' ' HD2' ' A' ' 42' ' ' PRO . 99.5 t -128.89 138.85 34.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.729 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.463 ' HD2' ' CG1' ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.69 143.36 50.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 45' ' ' PHE . 7.4 p -131.58 91.58 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' PHE . 2.7 m-20 -54.5 84.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 43' ' ' VAL . 30.5 t80 -35.94 -48.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.47 -52.72 12.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -75.55 -48.67 21.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.564 ' CD2' ' HE3' ' A' ' 51' ' ' LYS . 4.4 t80 -52.19 -29.11 20.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t -76.79 -45.49 28.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.34 -31.88 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.564 ' HE3' ' CD2' ' A' ' 48' ' ' PHE . 12.2 pttt -83.4 -32.46 26.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 69.5 m -79.5 -62.99 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.7 p -41.43 -53.75 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.36 -35.04 73.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -71.88 -15.26 62.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.44 ' NE1' ' HB2' ' A' ' 23' ' ' TYR . 70.3 t-105 -78.41 -37.46 43.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -33.06 54.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.9 p -72.1 -33.41 67.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.2 mtp -54.33 168.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' GLY . 3.1 m -116.81 148.3 41.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -36.28 -37.91 0.22 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.497 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -60.24 -60.48 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.299 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -60.27 -34.93 74.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 65' ' ' SER . 63.6 mttt -66.09 -44.04 85.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.4 t -35.36 -46.3 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -39.99 -49.13 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -92.42 -30.07 15.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -53.51 -38.43 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -75.82 -43.14 47.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 61.6 mtm -58.3 -47.04 84.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.81 -51.95 67.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -45.78 -38.39 7.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.22 -48.01 31.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.425 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 29.9 t0 -38.73 -42.59 0.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -58.41 -52.89 63.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.5 t -57.53 -52.4 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.2 tmm_? -55.36 -49.48 72.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -64.08 -36.94 85.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.34 -38.69 91.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -76.8 -21.48 55.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -85.76 -10.23 55.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.5 mmt -92.77 -26.14 17.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -64.03 -21.18 66.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -102.45 -35.87 8.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -73.13 -39.89 65.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -63.41 136.53 57.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.6 mtm -106.68 160.09 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.5 m -111.48 163.72 13.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 68' ' ' ASP . . . -37.75 -54.09 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.591 ' CE1' ' SG ' ' A' ' 52' ' ' CYS . 92.8 t80 -51.12 -46.25 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.59 -58.44 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -47.89 -42.6 27.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.401 ' HD1' ' CE2' ' A' ' 67' ' ' PHE . 58.2 t80 -60.87 -26.92 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.2 t -83.52 -55.01 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -54.67 -55.47 29.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.2 m -46.73 -57.43 4.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -56.13 -42.17 76.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 46.2 mtm180 -57.79 -51.97 67.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -53.15 -40.16 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.05 -35.27 79.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -61.91 -40.94 97.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -73.99 -44.03 56.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -36.03 32.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 46.8 mttm -95.2 -56.21 2.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -110.23 68.05 0.5 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.74 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.42 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.74 -17.96 37.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.385 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 41' ' ' VAL . 7.4 pt-20 -80.55 -38.72 29.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.401 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 60.8 t -82.96 127.81 68.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.74 59.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.39 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -111.05 104.59 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 47' ' ' GLU . 2.1 m-20 -70.75 88.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' ASN . 14.1 t80 -35.82 -45.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.53 -46.67 63.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 44' ' ' ASN . 15.4 mm-40 -80.72 -52.66 7.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.481 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 4.4 t80 -48.66 -37.33 18.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -75.9 -45.92 32.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -31.48 63.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -24.62 41.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.591 ' SG ' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -67.71 -62.03 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.7 t -37.77 -54.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.493 ' O ' ' CG2' ' A' ' 58' ' ' THR . 4.5 mm-40 -64.71 -31.75 73.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 52' ' ' CYS . 56.1 mtt180 -76.1 -19.14 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CD1' ' HE2' ' A' ' 64' ' ' LYS . 64.0 t-105 -84.97 -55.62 3.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -56.97 -28.59 62.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 75.1 p -75.6 -21.04 58.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.411 ' HE2' ' C ' ' A' ' 63' ' ' GLU . 8.3 mmm -48.02 176.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.9 m -118.73 26.2 9.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.81 -57.53 2.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -58.79 -24.39 61.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' C ' ' HE2' ' A' ' 59' ' ' MET . 6.8 mm-40 -81.07 -31.31 34.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.529 ' HE2' ' CD1' ' A' ' 56' ' ' TRP . 83.2 mttt -67.48 -46.65 72.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' LYS . 14.9 m -37.73 -47.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' SER . 7.1 ttpp -37.25 -49.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.401 ' CE2' ' HD1' ' A' ' 26' ' ' PHE . 20.0 m-85 -91.2 -40.19 11.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.41 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 1.7 t70 -46.38 -38.11 8.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -77.18 -47.73 19.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.4 mtm -50.32 -40.64 49.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.3 -53.11 54.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -42.22 -38.79 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.44 -48.81 16.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.1 OUTLIER -38.45 -42.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 16.2 ttmm -56.63 -52.14 66.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 83.7 t -56.83 -41.84 76.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -46.51 73.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.32 -53.69 55.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -45.28 -45.02 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -64.88 -51.49 61.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -50.46 -40.18 50.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.3 mmt -61.75 -37.83 85.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -69.7 -30.19 67.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.23 -47.92 13.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -68.11 -50.34 55.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.447 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.56 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.555 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 29.6 mtmt -121.04 141.92 50.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.1 mtm -131.77 157.97 42.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.1 m -101.15 155.56 17.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.44 -40.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -62.04 -58.93 6.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.21 -45.3 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -52.72 -44.07 66.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -61.8 -49.63 75.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -61.97 -41.13 89.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -65.05 -45.79 83.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.4 m -52.92 -57.74 9.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.7 t -52.78 -42.53 65.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.553 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 22.3 mtm180 -57.8 -52.27 66.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.3 -35.55 62.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.88 -30.21 65.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -70.23 -38.59 75.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -74.39 -28.84 61.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -64.7 -30.31 71.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -100.87 -51.37 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -111.59 68.59 0.76 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -25.37 28.54 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -105.23 32.49 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.459 ' CG1' ' HD2' ' A' ' 42' ' ' PRO . 86.7 t -134.61 138.4 29.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.592 0.71 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.459 ' HD2' ' CG1' ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.8 155.11 66.64 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' PHE . 4.8 p -132.64 97.26 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' PHE . 37.3 m-20 -58.51 85.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' VAL . 9.4 t80 -37.84 -52.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.91 -46.03 3.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 50' ' ' LYS . 11.6 mt-10 -83.44 -57.99 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.553 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 5.2 t80 -40.33 -31.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.36 -45.14 56.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 47' ' ' GLU . 6.6 tppt? -51.07 -35.53 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.547 ' HE2' ' CD2' ' A' ' 48' ' ' PHE . 1.8 pttm -78.71 -26.3 44.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.9 m -88.01 -66.11 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.9 p -42.29 -56.02 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -53.87 -33.39 56.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.0 mtt85 -75.79 -29.61 58.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.439 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 74.7 t-105 -65.67 -29.99 70.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -86.6 -33.37 20.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.9 p -75.06 -15.36 60.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.5 mtp -74.69 165.54 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.8 m -112.54 154.88 25.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.04 -35.36 1.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -64.35 -43.54 94.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.717 0.294 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -73.32 -35.62 66.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 63.1 mttt -70.52 -41.17 72.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.7 m -35.05 -48.1 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -39.33 -49.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -90.78 -30.58 16.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -49.26 -36.77 21.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.4 -45.61 37.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 69.2 mtm -58.27 -40.69 82.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.89 -43.16 89.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -58.7 -26.35 63.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.0 -23.34 18.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -24.17 66.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -81.01 -43.24 19.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.37 -34.55 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.499 ' NE ' ' OE2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -65.88 -55.32 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 53.9 t80 -58.75 -40.9 85.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.68 -51.27 70.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -66.49 -24.52 66.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.499 ' OE2' ' NE ' ' A' ' 77' ' ' ARG . 56.3 mt-10 -82.12 -21.42 36.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.3 mmt -85.59 -28.2 24.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -24.93 62.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -96.27 -26.04 15.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -83.12 -40.72 19.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' GLY . 4.6 m 36.9 49.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -96.6 -49.95 4.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.31 58.72 9.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -170.84 115.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -90.87 83.38 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.12 -141.45 16.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.42 165.04 15.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.715 0.293 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.09 -40.54 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -90.13 90.48 8.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.23 126.84 1.69 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 2.3 t70 -89.84 140.59 27.84 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 54.0 Cg_endo -69.76 0.82 5.09 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.737 2.292 . . . . 0.0 112.338 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -89.31 -52.83 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HG3' ' CZ ' ' A' ' 85' ' ' TYR . 16.1 ttpt -51.79 140.37 29.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.563 0.697 . . . . 0.0 110.915 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 52.9 Cg_endo -69.84 138.85 38.51 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.246 . . . . 0.0 112.343 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' O ' ' CE2' ' A' ' 78' ' ' TYR . 6.9 tmtt? -68.79 136.92 53.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' N ' ' HD3' ' A' ' 17' ' ' LYS . . . -41.81 161.54 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.479 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 78' ' ' TYR . 31.9 mtmm -70.39 134.02 47.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.8 mtp -108.65 148.89 29.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -105.88 158.67 16.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.47 -47.14 3.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -50.99 -62.21 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.35 -54.01 3.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -44.97 -49.94 10.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -53.9 -44.86 70.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.4 t -66.92 -49.03 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -61.5 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.5 m -46.22 -41.68 13.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.19 -40.6 96.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.559 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 8.9 mtp-105 -63.97 -55.55 21.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -48.59 -37.75 18.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.74 -38.55 80.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -62.44 -36.2 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -73.15 -33.79 65.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -58.65 -33.92 70.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 2.5 mmmm -97.6 -54.03 3.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.402 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 2.0 m-80 -110.29 67.81 0.5 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.2 Cg_endo -69.82 -23.79 30.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.54 31.36 5.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 42' ' ' PRO . 95.2 t -129.08 138.85 34.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.78 148.97 66.1 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.7 p -132.57 98.79 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' PHE . 19.7 t30 -63.84 87.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' ASN . 15.3 t80 -37.3 -43.61 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.58 -52.21 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.076 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.79 -53.06 9.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 21.3 t80 -45.37 -40.24 7.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -69.94 -43.81 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.17 -33.59 41.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 8.4 ptpt -84.12 -31.14 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 85.0 m -76.48 -62.73 1.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -44.72 -48.18 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -61.68 -28.69 69.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -80.1 -17.62 52.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.404 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 74.1 t-105 -80.46 -40.28 26.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -73.97 -33.1 63.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.8 p -77.47 -13.78 59.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.8 mtp -71.87 157.14 38.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 63' ' ' GLU . 1.8 t -102.8 143.45 32.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -35.72 -36.94 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -61.94 -46.78 87.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.692 0.282 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 60' ' ' SER . 5.5 mp0 -67.28 -44.72 78.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 70.7 mttt -60.32 -25.3 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -44.66 -53.98 6.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.504 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 14.2 ptmt -45.5 -40.53 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.504 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 78.5 m-85 -89.37 -13.0 38.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -75.77 -45.5 35.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -60.89 -40.98 95.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.4 mtm -66.26 -57.7 6.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.817 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.45 -48.79 68.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -49.28 -33.62 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.68 -19.48 27.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -73.63 -17.26 61.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -88.38 -33.39 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 p -80.15 -33.38 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -69.04 -49.5 56.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.463 ' CE2' ' O ' ' A' ' 17' ' ' LYS . 57.3 t80 -63.04 -42.56 99.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -56.1 -47.09 78.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 mtm105 -65.88 -39.54 90.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.66 -39.05 83.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.0 mmt -63.42 -32.7 74.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -58.96 -45.46 90.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.53 -38.85 54.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.487 ' CZ ' ' HG3' ' A' ' 15' ' ' LYS . 7.3 t80 -64.43 -61.15 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -66.02 140.24 58.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.9 p -47.56 172.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.3 82.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p -92.6 121.41 34.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p 39.8 43.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.58 129.2 1.93 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -136.73 138.0 40.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.746 0.307 . . . . 0.0 110.915 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 8' ' ' MET . . . -37.18 133.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -118.77 -0.58 11.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.33 114.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.6 149.93 1.0 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -41.8 3.91 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.02 73.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' HD2' ' CE1' ' A' ' 85' ' ' TYR . 17.5 tptp -169.23 136.07 1.47 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 173.03 11.5 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -117.82 64.48 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.552 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . 40.25 -159.62 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.492 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -112.66 116.21 29.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.744 0.307 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.432 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 3.6 mtm -99.82 158.18 15.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 22' ' ' ALA . 7.0 m -110.08 159.21 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.46 ' N ' ' HB3' ' A' ' 71' ' ' ALA . . . -36.32 -47.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.072 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -53.95 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.43 -43.6 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.114 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -53.9 -43.59 69.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -61.77 -47.67 84.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.26 -41.81 88.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -64.72 -48.93 72.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.1 m -53.92 -53.53 51.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.4 t -53.72 -41.05 66.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.568 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 14.8 mtt180 -60.51 -42.74 97.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -60.26 -43.6 96.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -59.28 -30.56 68.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -67.57 -63.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -41.76 -58.09 2.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.81 -33.98 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -91.16 -61.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.446 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 6.1 m-80 -109.38 70.51 0.47 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -14.88 36.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.381 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -113.48 24.96 11.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 42' ' ' PRO . 57.9 t -128.99 137.68 31.54 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.663 0.744 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.46 ' HD2' ' CG1' ' A' ' 41' ' ' VAL . 53.4 Cg_endo -69.75 163.52 37.96 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.36 104.96 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -68.5 91.68 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -40.1 -53.05 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.72 -38.64 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -89.88 -58.31 2.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 23.2 t80 -41.72 -33.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.64 -44.39 57.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.27 -29.66 6.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 3.9 ptpp? -88.98 -30.75 18.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 80.4 m -73.46 -64.19 1.04 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.3 p -44.58 -49.56 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -59.82 -27.28 66.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' CYS . 27.5 mtt180 -80.83 -21.62 40.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -76.43 -40.9 49.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -73.74 -29.2 62.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.8 p -78.13 -30.33 49.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.9 mtp -62.17 152.23 33.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 p -95.93 151.85 19.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -38.62 -32.35 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -60.03 3.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -55.48 -36.35 66.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 65' ' ' SER . 73.6 mttt -67.26 -43.18 82.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' LYS . 5.8 t -35.83 -49.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' SER . 12.5 tttt -37.64 -50.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -89.15 -26.72 21.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -53.32 -41.42 65.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -72.81 -43.73 62.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 72.6 mtm -59.88 -38.14 81.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.46 ' HB3' ' N ' ' A' ' 22' ' ' ALA . . . -65.35 -47.48 76.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -53.98 -23.04 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.67 -14.92 18.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.08 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 20' ' ' MET . 4.4 t70 -65.72 -23.27 66.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -83.38 -45.07 14.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p -74.7 -32.22 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.408 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.1 tmm_? -70.35 -40.11 74.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.552 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 88.5 t80 -68.84 -45.75 70.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.987 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -50.03 -51.54 41.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -60.69 -37.8 82.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.15 -44.49 94.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.505 ' SD ' ' CZ ' ' A' ' 78' ' ' TYR . 63.6 mmm -60.95 -33.87 73.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -53.19 -38.04 62.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.89 -45.77 26.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.498 ' CE1' ' HD2' ' A' ' 15' ' ' LYS . 8.6 t80 -60.05 -58.69 7.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.442 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -105.7 131.64 52.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.6 p -122.03 127.6 50.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.21 168.37 38.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.7 t -56.31 132.9 52.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 p -99.94 173.51 6.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.64 84.84 0.57 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -22.9 38.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.78 -31.41 6.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.51 124.72 31.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.48 130.54 1.3 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -159.71 151.35 16.65 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -21.18 33.93 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.373 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -68.3 -40.1 81.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.96 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.457 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 18.3 tttt -108.07 143.24 26.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 0.0 110.915 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.457 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.4 Cg_endo -69.79 129.31 17.35 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.725 2.283 . . . . 0.0 112.316 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -94.99 76.21 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.515 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . 42.91 -164.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.414 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 31.8 mtmm -108.83 135.68 49.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.5 mtp -112.71 130.94 55.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' ALA . 26.3 m -86.04 154.06 21.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -36.14 -44.07 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -57.75 -57.77 11.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.56 -55.11 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -43.06 -48.68 6.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -55.95 -50.13 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 67.9 t -59.1 -40.72 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -65.02 -48.35 74.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 33.1 m -58.93 -52.71 64.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.4 m -52.16 -40.85 62.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.566 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 16.3 mtp180 -59.59 -51.54 69.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -57.81 -39.02 76.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -66.66 -31.19 71.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -71.87 -42.21 67.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -52.68 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.6 -27.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 18.4 mtpp -100.25 -56.4 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -108.73 70.66 0.4 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.74 -22.75 31.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -85.56 -23.25 27.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.0 t -94.07 131.23 32.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.662 0.744 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 179.79 3.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.0 p -140.05 109.35 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' GLU . 24.8 m-20 -67.13 81.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 44' ' ' ASN . 13.7 t80 -34.53 -53.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.45 -45.34 9.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' ASN . 8.8 mm-40 -84.2 -56.21 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 30.8 t80 -40.49 -33.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t -78.01 -41.93 34.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -55.57 -29.18 58.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -92.04 -34.25 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.468 ' SG ' ' CZ ' ' A' ' 48' ' ' PHE . 13.5 m -64.71 -36.27 83.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 m -69.97 -53.77 16.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.45 -27.56 64.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -73.46 -32.73 64.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -65.73 -49.98 66.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -65.23 -38.11 89.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.2 p -71.06 -32.83 69.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.3 mtp -52.43 159.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' GLY . 8.4 t -100.62 143.62 30.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -34.49 -41.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -58.76 -55.4 35.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.736 0.303 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -58.62 -34.08 70.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 65' ' ' SER . 68.5 mttt -69.92 -45.22 67.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' LYS . 68.1 m -36.13 -47.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -41.61 -47.65 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -92.37 -24.75 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -59.84 -25.39 64.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -87.15 -37.36 17.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 34.6 mtm -65.68 -49.94 66.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.96 -48.95 74.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -46.22 -40.92 12.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.85 -13.63 41.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.064 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -76.05 -20.86 57.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -87.08 -36.32 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 p -80.78 -34.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -44.44 81.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.515 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 88.9 t80 -62.98 -47.61 82.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -46.89 -55.85 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -63.23 -36.91 85.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.36 -38.96 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 mmt -71.98 -24.27 61.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -72.59 -37.65 68.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.39 -41.08 20.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -63.64 -52.55 60.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -117.38 108.55 15.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 m -96.51 122.95 39.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.64 -136.15 0.17 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.543 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 m -162.08 111.87 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 p -91.34 104.45 16.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.91 -123.02 0.89 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.0 mmt -48.33 -58.17 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.41 137.35 42.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -128.45 114.87 17.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.48 -176.88 49.88 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -121.94 143.07 37.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.594 0.712 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -34.91 13.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.307 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -68.77 -44.6 73.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 40.1 tttt -56.14 140.4 70.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.552 0.691 . . . . 0.0 110.903 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.3 Cg_endo -69.83 140.49 42.53 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.691 2.261 . . . . 0.0 112.318 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -60.09 119.28 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.55 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . -46.2 137.99 7.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -60.82 133.79 56.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 75.6 mtp -81.47 163.2 22.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 22' ' ' ALA . 37.1 m -118.66 153.12 34.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -34.04 -52.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -55.93 -63.16 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.03 -45.46 7.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.049 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -55.04 -38.59 68.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -65.1 -42.19 94.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.13 -41.1 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -67.14 -51.63 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.3 m -49.82 -52.17 34.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 m -58.24 -37.27 74.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -62.89 -48.72 77.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -55.39 -40.58 71.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -68.24 -35.24 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.411 ' NE2' ' HB ' ' A' ' 43' ' ' VAL . 17.7 t60 -65.2 -39.84 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -73.87 -44.95 53.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -53.33 -36.5 61.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 36.3 mttp -93.45 -57.03 2.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.409 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 12.1 m-80 -109.24 68.87 0.4 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.42 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.7 Cg_endo -69.75 -28.11 25.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.334 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.41 37.06 2.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.409 ' CG2' ' HB3' ' A' ' 38' ' ' ASN . 93.0 t -132.99 135.45 25.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 111.143 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 141.96 46.75 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 45' ' ' PHE . 7.5 p -124.46 101.59 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 47' ' ' GLU . 2.2 m-20 -57.04 80.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' VAL . 6.8 t80 -35.68 -60.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.71 -40.71 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' ASN . 12.2 mt-10 -83.63 -63.0 1.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -42.36 -24.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -85.62 -43.31 13.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -52.7 -29.29 25.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -37.21 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.3 m -60.6 -54.67 42.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.2 p -56.63 -59.95 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -50.32 -32.03 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -70.8 -30.2 66.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.402 ' CH2' ' HG2' ' A' ' 64' ' ' LYS . 76.8 t-105 -68.97 -57.65 5.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -56.28 -35.51 67.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.1 p -72.21 -33.65 67.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.3 mtp -56.87 170.51 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.7 t -106.91 165.76 11.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.07 -41.95 30.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.475 ' N ' ' HE3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.27 -54.5 36.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.748 0.308 . . . . 0.0 110.96 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -51.67 -33.23 32.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' SER . 78.5 mttt -80.33 -36.67 33.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 68' ' ' ASP . 3.5 t -37.88 -57.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.481 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 18.5 ptmt -41.24 -44.12 2.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.481 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 86.7 m-85 -82.29 -21.02 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' SER . 14.5 t0 -66.38 -58.25 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -49.92 -43.88 50.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.3 mtm -57.24 -52.85 63.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.6 91.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -44.01 -46.69 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.23 -46.27 64.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -49.95 -44.81 50.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.15 -47.78 77.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.2 t -55.02 -52.09 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -51.35 -59.28 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.55 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 44.3 t80 -50.98 -49.81 59.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -46.28 -55.64 6.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -57.54 -44.21 84.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.0 -19.44 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.6 mmt -82.68 -34.25 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -62.77 -47.96 81.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -68.49 -44.44 74.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.4 ' CE2' ' HG3' ' A' ' 15' ' ' LYS . 6.7 t80 -56.0 -63.09 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 p -94.18 -50.75 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.815 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -68.47 -55.03 13.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.48 -123.68 1.6 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.552 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 t -85.98 89.97 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 t -70.56 132.01 44.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.87 -175.69 33.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.6 mtp -46.02 -54.72 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.58 91.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -88.48 -47.06 8.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.43 177.5 48.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.44 149.64 88.9 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.699 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -14.33 36.01 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.662 2.242 . . . . 0.0 112.343 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -58.82 -40.31 83.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 59.3 tttm -60.75 139.44 93.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.643 0.735 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.4 Cg_endo -69.78 117.61 5.19 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' GLY . 24.1 ttmt -53.56 127.97 27.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -34.46 151.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.431 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 38.6 mtmt -76.0 130.97 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 68.9 mtp -101.84 140.14 36.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' ALA . 49.6 m -98.51 148.87 23.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -34.26 -47.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.085 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -56.03 -54.61 42.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.77 -48.35 66.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -48.44 -42.01 31.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -61.91 -51.47 68.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.3 t -58.99 -46.34 91.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -62.57 -56.33 18.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 90.4 m -51.13 -50.6 58.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.38 -40.11 67.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.549 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 34.4 mtp180 -61.42 -52.6 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -56.15 -37.98 70.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -63.28 -38.46 91.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -65.06 -57.26 9.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -58.18 -47.55 83.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -47.17 -31.63 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -93.76 -60.56 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -108.16 70.41 0.35 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.671 0.748 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.3 Cg_endo -69.73 -6.28 18.21 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.388 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -100.02 -21.8 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.466 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 1.8 p -94.89 136.7 22.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.612 0.72 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.76 172.24 13.0 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 45' ' ' PHE . 7.4 p -138.94 105.33 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' PHE . 35.4 t-20 -61.48 76.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' VAL . 29.4 t80 -34.52 -53.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.85 -50.92 5.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 49' ' ' SER . 6.5 mt-10 -79.12 -55.68 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.549 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 1.7 t80 -42.22 -23.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.1 t -83.67 -48.68 9.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -55.59 -21.01 15.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.402 ' HD3' ' CD ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -91.98 -30.73 15.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.22 -51.22 12.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.6 p -49.98 -61.02 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -52.79 -36.98 59.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.402 ' CD ' ' HD3' ' A' ' 51' ' ' LYS . 8.8 mtp85 -65.6 -25.73 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.479 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 72.1 t-105 -72.19 -39.81 68.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -76.68 -30.61 56.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.5 p -77.75 -31.73 52.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.3 mtp -56.34 169.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.8 t -113.6 152.33 30.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -43.39 -31.09 1.44 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -67.76 -48.4 66.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.706 0.289 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -71.11 -29.0 64.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 66.3 mttt -72.61 -44.17 62.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' LYS . 69.6 m -35.52 -43.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -42.38 -49.83 5.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -91.89 -31.44 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -51.99 -38.78 57.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.46 -44.22 52.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 60.3 mtm -57.82 -47.41 82.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.14 -52.22 65.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -43.7 -42.8 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.48 -42.26 62.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.055 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -56.67 -43.83 80.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -62.53 -31.41 72.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.1 t -77.71 -54.9 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -49.52 -35.23 19.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.431 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 28.3 t80 -68.43 -55.74 10.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -41.73 -46.76 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 10.3 mtp-105 -63.03 -42.38 99.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -60.82 -38.61 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.6 mmt -63.8 -34.33 77.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -54.08 -55.02 31.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.49 -46.2 73.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -50.72 -59.98 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m -119.31 103.11 9.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -163.59 175.06 11.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.2 112.45 3.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -52.33 125.44 16.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 m -104.82 -46.75 4.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.64 -134.71 12.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ttt -77.57 144.18 37.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.6 136.29 32.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.73 40.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.4 107.09 0.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -149.52 154.72 38.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -34.56 14.4 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.38 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -84.9 -40.88 16.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 36.4 tttp -90.34 139.92 26.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.573 0.702 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.7 Cg_endo -69.74 171.3 14.69 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.87 124.01 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.57 158.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.471 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -76.21 134.31 39.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.0 mtm -124.36 165.35 17.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.8 m -108.27 158.66 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.78 -41.69 1.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -57.3 -56.85 16.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.35 -59.28 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -38.69 -49.09 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -55.29 -46.99 76.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.76 -49.11 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -51.92 65.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 90.7 m -54.85 -43.89 73.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.7 m -60.75 -37.06 80.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.506 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 8.1 mtp-105 -63.03 -48.95 76.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -57.02 -42.46 80.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.56 -39.91 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.401 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 11.8 t60 -64.64 -64.54 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -51.42 -40.22 58.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -51.43 -37.19 47.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 1.2 mptm? -94.52 -58.8 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -108.07 70.53 0.34 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.665 0.745 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.419 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.2 Cg_endo -69.81 -25.83 27.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -77.98 -29.48 49.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.431 ' CG1' ' HD2' ' A' ' 42' ' ' PRO . 91.3 t -88.84 137.53 29.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.431 ' HD2' ' CG1' ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.72 170.07 17.4 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 45' ' ' PHE . 6.6 p -131.55 92.29 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -53.73 85.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' VAL . 9.9 t80 -38.35 -48.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.03 -47.63 16.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -81.69 -55.19 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.506 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 16.7 t80 -40.92 -38.01 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.76 -46.46 53.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.94 -33.08 10.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -83.12 -31.22 27.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 55' ' ' ARG . 56.1 m -84.57 -65.1 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . 18.9 p -36.72 -49.09 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.64 -38.47 91.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 52' ' ' CYS . 10.5 mtp180 -68.38 -18.31 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -78.29 -40.36 37.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -33.33 60.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.2 p -79.35 -5.12 53.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.5 mtp -82.52 156.32 24.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 73.3 m -93.78 162.24 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.39 -35.75 36.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -65.69 -52.05 54.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.14 -39.61 69.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -72.0 -32.41 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 68' ' ' ASP . 19.3 t -40.99 -54.21 2.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 67' ' ' PHE . 16.5 ptmt -43.52 -44.77 6.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.412 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 63.4 m-85 -84.87 -18.59 34.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' SER . 16.0 t0 -68.18 -48.58 64.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -62.99 -38.62 91.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.0 mtm -65.13 -47.91 75.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.33 70.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -48.15 -50.33 29.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.3 -51.99 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.055 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -42.86 -41.41 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -60.84 -43.25 98.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.8 t -70.85 -56.0 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -47.81 -36.2 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.483 ' CE2' ' HG3' ' A' ' 82' ' ' MET . 24.0 t80 -73.51 -49.29 27.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.25 -47.23 18.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -74.77 -53.89 8.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.465 ' CA ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -45.92 -40.08 9.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.483 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 87.6 mmm -75.82 -27.35 57.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -69.35 -26.54 64.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -92.2 -34.88 14.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -64.88 -47.95 75.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m -108.0 104.93 14.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 p -123.5 169.52 11.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.69 161.12 24.71 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 m -136.64 120.28 17.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.826 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 p -48.66 169.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.17 129.71 9.61 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.448 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.2 mtp -104.29 86.9 2.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.61 123.14 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -141.15 155.19 46.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.44 53.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -174.63 143.01 0.8 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.576 0.703 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' LYS . 54.0 Cg_endo -69.78 -47.72 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.311 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.5 ttmt -34.36 -45.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 51.1 tttm -90.23 140.0 27.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.575 0.702 . . . . 0.0 110.9 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.452 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.7 Cg_endo -69.73 156.08 64.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 78' ' ' TYR . 17.4 pttt -96.42 129.78 43.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -36.28 139.65 0.3 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -77.98 141.6 38.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.445 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 6.6 mtm -98.2 163.06 12.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 24' ' ' ALA . 49.1 m -104.77 150.53 24.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -36.11 -45.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -56.35 -44.19 79.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 21' ' ' SER . . . -56.77 -54.47 45.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -45.08 -40.37 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.71 -43.28 99.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -66.97 -46.51 84.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -56.37 -41.9 76.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.7 m -64.23 -53.09 54.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.5 t -51.77 -38.68 56.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -63.13 -55.12 27.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -35.4 61.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -64.43 -41.73 96.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -62.01 -44.86 95.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -66.13 -39.24 89.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -48.8 -35.0 13.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -96.94 -54.81 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -109.61 70.06 0.48 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.632 0.729 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -15.14 37.11 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.272 . . . . 0.0 112.331 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.02 32.9 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 42' ' ' PRO . 99.4 t -134.37 138.96 31.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.596 0.712 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.82 153.51 68.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.292 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 45' ' ' PHE . 6.0 p -132.17 93.88 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' PHE . 14.7 m-20 -52.52 86.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' VAL . 7.2 t80 -34.44 -46.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.41 -59.65 3.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.067 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -65.99 -53.41 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CE2' ' SG ' ' A' ' 52' ' ' CYS . 70.3 t80 -44.24 -64.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.65 -46.55 7.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -49.13 -37.15 21.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -77.69 -28.64 51.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.6 ' SG ' ' CE2' ' A' ' 48' ' ' PHE . 4.4 m -80.79 -65.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.1 p -44.68 -51.44 9.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' O ' ' CG2' ' A' ' 58' ' ' THR . 11.5 mt-10 -57.13 -30.99 64.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -78.53 -25.7 45.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -66.4 -47.49 73.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -68.78 -33.47 73.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 33.0 p -73.04 -32.57 65.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.4 mtp -58.79 160.5 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.8 m -109.99 157.45 19.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -45.88 -33.98 5.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 10.7 ptpp? -63.37 -44.08 95.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 37.9 mm-40 -78.74 -31.35 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' SER . 60.7 mttt -71.03 -40.47 71.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 64' ' ' LYS . 13.9 m -35.7 -45.51 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -43.55 -47.98 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -90.26 -28.6 18.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -52.23 -42.94 64.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -66.74 -52.22 46.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.0 mtm -51.87 -38.25 55.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.41 ' HB2' ' CA ' ' A' ' 22' ' ' ALA . . . -67.89 -47.71 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -42.66 -35.29 1.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.02 -35.76 16.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.1 OUTLIER -45.12 -43.03 9.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 17.7 ttpt -69.32 -45.04 70.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 86.1 t -58.53 -44.4 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -55.59 -61.11 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 34.4 t80 -64.07 -57.78 8.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' TYR . 27.4 t70 -36.62 -59.87 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -59.41 -33.35 71.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 78' ' ' TYR . 21.2 mm-40 -70.19 -29.76 66.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.2 mmt -72.74 -29.81 63.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -61.94 -41.39 97.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.78 -45.56 57.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -63.38 -59.2 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.504 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 p -49.59 115.91 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -66.98 130.57 43.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.55 -170.8 40.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.1 p -92.16 111.43 22.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.823 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t 49.93 29.23 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.25 146.37 44.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mtm -45.21 165.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.54 112.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 10' ' ' LYS . 1.2 pptp? -148.11 164.69 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.86 -173.78 13.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.455 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -104.16 148.36 35.79 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.597 0.713 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -2.73 10.71 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -88.91 -50.4 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -53.79 150.05 15.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 110.926 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 126.17 13.0 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' GLY . 49.5 tttm -54.86 128.5 33.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -36.98 124.16 0.97 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.535 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -73.56 141.8 46.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.779 0.323 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.424 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 5.9 mtm -111.97 155.77 23.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.7 m -98.55 156.95 16.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.03 -40.44 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -63.58 -53.69 47.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.25 -52.25 59.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 15.8 m-85 -47.9 -42.06 26.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -60.05 -37.56 80.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -69.7 -48.47 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -61.71 -44.08 97.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.2 m -60.58 -58.4 8.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.09 -43.26 30.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -58.52 -54.31 48.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -55.49 -36.64 66.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -72.2 -39.98 68.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.415 ' NE2' ' HB ' ' A' ' 43' ' ' VAL . 12.7 t60 -55.72 -39.5 71.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -72.39 -40.6 67.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.19 -36.51 52.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -95.21 -53.84 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -110.76 67.11 0.53 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.5 Cg_endo -69.72 -18.15 37.34 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -108.8 26.48 10.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.1 t -126.39 132.88 24.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 139.3 39.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.415 ' HB ' ' NE2' ' A' ' 34' ' ' HIS . 7.3 p -118.21 99.05 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 45' ' ' PHE . 79.2 m-20 -64.13 87.98 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 44' ' ' ASN . 6.9 t80 -36.26 -46.43 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.89 -46.88 43.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 44' ' ' ASN . 8.0 mt-10 -79.25 -58.3 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.46 ' O ' ' CG ' ' A' ' 51' ' ' LYS . 43.3 t80 -42.75 -43.8 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -51.94 50.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -45.87 -32.83 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -88.69 -29.11 20.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 53' ' ' SER . 1.4 p -59.07 -44.81 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.495 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 4.4 t -68.99 -53.85 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.17 -24.84 63.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -80.05 -33.02 39.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.511 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 69.6 t-105 -63.12 -47.86 80.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -62.28 -31.32 71.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -77.59 -29.62 52.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 67.1 mtp -62.52 149.03 44.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -103.92 161.86 13.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.09 -37.2 10.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -58.81 -31.38 68.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -91.64 -47.02 7.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 75.3 mttt -56.75 -35.99 69.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -34.86 -60.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -38.7 -50.02 1.61 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -90.0 -10.55 44.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' SER . 4.9 t70 -72.91 -36.96 67.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -79.64 -43.06 23.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 67.4 mtm -58.36 -46.13 86.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.7 68.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -51.98 -39.0 58.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.9 -41.59 22.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.09 -42.05 80.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -66.41 -44.5 82.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.7 -50.71 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 3.9 tmm_? -51.39 -45.33 62.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -64.07 -49.57 71.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.51 -46.47 70.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -64.56 -45.62 86.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -62.93 -36.54 83.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.4 mmt -62.88 -31.77 72.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -61.42 -51.44 68.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.51 -42.78 61.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -56.79 -61.85 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.472 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' SER . 90.5 p -121.04 148.67 43.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . 31.5 t -38.57 112.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.23 62.45 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 m -125.03 107.21 10.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 p -46.43 155.35 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.97 150.92 4.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.2 ttt 57.94 41.79 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.35 160.27 29.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -99.77 116.24 31.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.32 100.15 2.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -78.34 144.04 65.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.591 0.71 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -3.68 12.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.359 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -95.23 -45.72 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.47 ' CD ' ' HD2' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -58.14 137.63 84.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.568 0.699 . . . . 0.0 110.907 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' HD2' ' CD ' ' A' ' 15' ' ' LYS . 53.9 Cg_endo -69.72 141.39 45.28 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.388 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' GLY . 23.9 tptt -83.3 134.21 34.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -34.39 138.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.547 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 8.5 mtmp? -70.85 134.41 47.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.726 0.298 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.6 mtm -123.48 159.25 29.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' ALA . 5.6 m -105.53 158.71 16.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -36.13 -48.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -57.12 -44.88 83.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' SER . . . -59.34 -50.93 72.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -50.53 -50.82 52.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.452 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 45.9 t80 -51.86 -35.38 44.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.3 -55.47 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -50.99 -47.99 61.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.2 m -58.85 -62.15 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 30.9 m -44.21 -32.12 1.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.534 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 38.4 mtp180 -71.89 -47.92 49.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -55.75 -38.66 70.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.86 -38.38 90.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.563 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 11.6 t60 -67.32 -37.27 83.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -78.4 -28.06 46.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -64.83 -31.78 73.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -100.71 -49.08 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -117.0 68.16 4.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -26.33 27.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.657 2.238 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -76.57 -34.78 58.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.6 t -81.32 132.31 56.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.638 0.732 . . . . 0.0 111.184 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 156.38 63.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.394 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.563 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 3.4 p -116.69 107.17 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -65.95 85.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -39.91 -49.99 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.47 -48.97 10.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' SER . 23.2 mm-40 -82.87 -57.9 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.534 ' CZ ' ' CG ' ' A' ' 31' ' ' ARG . 3.2 t80 -39.44 -28.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -78.75 -45.88 20.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.1 tmmt? -49.32 -28.75 5.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -22.19 24.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.496 ' SG ' ' N ' ' A' ' 53' ' ' SER . 1.3 p -68.79 -44.55 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.496 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 3.2 t -61.21 -54.46 44.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -57.87 -32.18 67.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 mtp85 -75.13 -25.81 58.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.405 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 75.9 t-105 -78.13 -47.29 18.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -66.27 -36.13 82.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.2 p -75.83 -23.72 55.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 26.4 mtp -69.73 148.52 49.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.6 t -91.87 164.81 13.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.1 -26.62 12.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -49.49 47.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.73 0.3 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -67.49 -19.51 65.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 65' ' ' SER . 70.5 mttt -89.47 -43.18 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' LYS . 55.5 m -37.64 -49.57 1.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -41.41 -48.89 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -86.02 -23.15 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -59.69 -36.72 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -78.96 -32.27 45.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.0 mtm -70.77 -33.93 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.56 87.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -64.36 -43.52 94.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.99 -28.09 68.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -70.59 -24.87 62.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -83.42 -45.33 13.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.03 -33.66 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.407 ' HD3' ' C ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -73.25 -48.0 38.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CD2' ' HB2' ' A' ' 16' ' ' PRO . 19.5 t80 -67.02 -41.02 87.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.35 -54.0 30.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -64.36 -56.39 14.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.463 ' CA ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -50.97 -17.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.409 ' CG ' ' CE1' ' A' ' 78' ' ' TYR . 10.7 mmt -86.98 -38.23 16.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -74.46 -15.41 60.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -98.5 -27.11 14.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -83.91 -42.62 16.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.0 t -114.26 145.49 41.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.8 p -154.75 121.52 5.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.84 62.0 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -116.75 153.27 32.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -102.71 -44.78 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.31 156.94 15.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptm -73.22 -44.0 60.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.729 0.3 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.17 78.71 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.33 145.08 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.68 103.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -117.8 149.78 45.85 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.588 0.708 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -50.2 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.39 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -51.31 -40.49 59.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.469 ' CD ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -91.98 139.09 24.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.899 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.469 ' HD2' ' CD ' ' A' ' 15' ' ' LYS . 53.9 Cg_endo -69.79 136.42 32.87 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -52.24 117.72 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.82 162.31 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.439 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -62.32 115.0 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 45.1 mtp -92.11 137.73 32.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.9 m -93.25 154.15 18.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . . . -40.62 -42.22 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -55.69 -48.32 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.08 -58.79 6.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.062 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -40.34 -42.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.85 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.58 -50.32 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -57.64 -48.15 80.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.1 m -56.23 -59.59 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 t -50.38 -38.08 40.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 54.7 mtm180 -61.79 -52.31 64.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -56.89 -44.7 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.49 -37.49 81.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -61.21 -47.08 87.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 30.5 tttt -71.34 -56.47 5.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' LYS . 16.9 mmmt -35.2 -36.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' LYS . 52.9 mttm -94.77 -60.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -108.18 73.26 0.44 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.643 0.735 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -31.63 20.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.85 -39.18 80.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.9 t -82.61 123.39 78.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -179.67 3.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.284 . . . . 0.0 112.358 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' PHE . 3.5 p -141.31 105.0 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' PHE . 8.5 t30 -58.43 81.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 43' ' ' VAL . 17.0 t80 -36.78 -54.61 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -38.89 -44.34 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' SER . 8.8 mt-10 -88.28 -58.81 2.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -41.2 -26.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -77.55 -44.96 26.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.822 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 47' ' ' GLU . 2.4 tppp? -59.27 -34.38 72.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -21.73 43.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -84.19 -55.09 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 76.1 p -50.49 -46.96 57.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -65.81 -37.78 87.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -65.6 -23.63 66.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.451 ' CZ2' ' HB3' ' A' ' 22' ' ' ALA . 67.2 t-105 -70.76 -47.0 61.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -69.61 -34.9 74.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 39.1 p -70.69 -27.08 63.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.3 mtp -61.44 163.98 6.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -107.21 152.99 23.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -36.77 -44.16 0.9 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -61.49 -55.02 35.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.322 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.23 -29.48 61.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' SER . 72.8 mttt -77.87 -39.94 41.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' LYS . 14.7 m -34.99 -51.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.543 ' HD2' ' CZ ' ' A' ' 67' ' ' PHE . 1.5 tmtp? -39.68 -50.77 2.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.543 ' CZ ' ' HD2' ' A' ' 66' ' ' LYS . 33.2 m-85 -92.24 -14.47 28.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.429 ' CB ' ' HA ' ' A' ' 65' ' ' SER . 9.1 t0 -66.55 -38.59 87.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -81.49 -25.02 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.1 mtm -78.97 -27.07 43.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.26 -31.21 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -66.3 -36.06 81.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.88 -39.95 25.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -38.98 -42.57 0.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -56.12 -46.18 79.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.49 -52.53 60.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.422 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.3 tmm_? -53.12 -48.32 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -59.05 -48.14 82.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -48.89 -44.53 40.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.807 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -67.13 -33.83 76.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.86 -34.8 72.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.9 mmt -64.65 -31.41 72.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -64.86 -55.2 20.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.89 -49.25 78.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -56.85 -52.11 66.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -68.16 132.41 47.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 p -156.93 162.79 39.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.64 -65.11 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 m -41.5 135.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.886 0.374 . . . . 0.0 110.794 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 t -118.04 81.27 1.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.95 81.38 1.76 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.8 tpt -39.48 110.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 10' ' ' LYS . . . -167.07 110.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -37.43 151.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -102.05 122.33 7.51 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.53 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -45.93 150.8 0.96 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.624 0.726 . . . . 0.0 110.826 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -50.43 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -84.64 58.14 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.47 ' CD ' ' HD2' ' A' ' 16' ' ' PRO . 7.8 tppt? -151.76 138.63 12.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.708 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' HD2' ' CD ' ' A' ' 15' ' ' LYS . 54.0 Cg_endo -69.77 142.17 47.15 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.658 2.238 . . . . 0.0 112.321 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 18' ' ' GLY . 7.6 tppt? -69.6 112.17 5.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -34.31 150.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -61.0 125.7 24.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 71.8 mtp -106.36 157.12 17.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 m -112.81 156.11 23.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' N ' ' HB1' ' A' ' 71' ' ' ALA . . . -37.66 -52.69 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -50.18 -51.49 43.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' PHE . . . -51.64 -63.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' ALA . 45.6 m-85 -38.22 -48.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.63 -44.96 73.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 24' ' ' ALA . 95.6 t -65.95 -42.43 91.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -61.7 -52.83 62.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.6 m -47.18 -57.75 4.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.0 m -50.04 -47.23 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.548 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 40.6 mtp180 -52.81 -51.09 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -62.69 -42.98 99.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -57.7 -20.09 31.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -90.56 -46.65 8.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -68.27 -51.63 42.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -39.52 -37.69 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' O ' ' CD ' ' A' ' 39' ' ' PRO . 9.6 mmtm -94.94 -58.48 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -107.47 72.21 0.34 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.418 ' CD ' ' O ' ' A' ' 37' ' ' LYS . 54.4 Cg_endo -69.69 -28.38 25.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.361 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -73.33 -34.79 65.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.3 t -86.16 123.47 71.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.729 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 175.82 7.56 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -132.63 118.45 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' PHE . 4.8 m-80 -66.86 77.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' ASN . 14.1 t80 -34.88 -50.09 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.97 -48.54 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -85.14 -52.75 5.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.548 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 20.1 t80 -45.02 -25.54 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -82.57 -43.4 17.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -56.18 -26.65 51.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -90.6 -33.46 15.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 54.3 m -69.62 -57.94 4.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.7 t -53.37 -54.76 32.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.43 ' O ' ' CG2' ' A' ' 58' ' ' THR . 35.2 mm-40 -55.26 -26.6 40.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -79.75 -28.5 40.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -65.25 -49.5 69.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -65.14 -30.02 70.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 60.2 p -73.56 -35.5 65.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.1 mtm -63.3 149.02 46.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.2 p -96.69 160.29 14.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.01 -38.98 2.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -55.2 -39.03 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -80.36 -54.31 5.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 65' ' ' SER . 69.3 mttt -51.4 -42.13 61.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -34.95 -53.12 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.429 ' HD3' ' CE ' ' A' ' 70' ' ' MET . 0.6 OUTLIER -40.75 -47.15 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -88.11 -24.23 23.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -55.84 -37.9 69.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -75.26 -45.08 42.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.429 ' CE ' ' HD3' ' A' ' 66' ' ' LYS . 20.2 mtm -53.78 -52.83 59.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.404 ' HB1' ' N ' ' A' ' 22' ' ' ALA . . . -57.11 -48.18 79.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.074 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -46.75 -46.54 20.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -74.51 -45.06 48.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -41.82 -24.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ALA . 6.7 ttpm? -77.21 -53.94 7.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 p -64.26 -29.31 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -72.37 -45.42 59.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -71.43 -47.1 58.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -45.03 -57.28 3.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.9 mtm105 -53.16 -48.37 68.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -53.22 -36.84 61.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.8 mmt -67.75 -29.35 68.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -69.79 -50.03 47.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.84 -45.95 73.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -53.32 -54.15 40.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 1' ' ' GLY . 72.2 m 35.24 42.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -46.79 120.2 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.94 -122.97 1.23 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -159.21 155.97 28.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 m -97.51 151.8 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.31 -53.28 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.535 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.2 mtt -123.51 136.14 54.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.772 0.32 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.49 105.25 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -83.21 119.91 25.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.4 -175.93 19.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -79.93 148.92 69.43 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.613 0.72 . . . . 0.0 110.829 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -47.77 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -69.09 -46.35 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 11.7 ttpp -48.6 138.43 11.87 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.919 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.9 Cg_endo -69.73 150.06 67.89 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.392 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.6 OUTLIER -127.56 175.33 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.86 149.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -91.07 121.55 32.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.4 mtp -72.58 137.62 46.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.5 m -94.34 157.74 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.24 -43.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -58.06 -59.89 4.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.38 -47.44 13.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.065 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -51.07 -43.5 61.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.403 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 34.2 t80 -60.52 -36.58 78.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.5 t -72.29 -39.34 63.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -66.33 -48.52 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.1 m -56.54 -58.48 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.0 m -48.08 -42.23 28.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.563 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 9.5 mtp-105 -58.74 -55.35 36.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -52.47 -41.33 63.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -59.9 -40.79 89.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.489 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 10.8 t60 -59.09 -52.43 65.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' LYS . 23.4 tttt -64.28 -52.08 60.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' LYS . 32.0 mtpt -37.87 -32.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.445 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 9.6 mptt -98.65 -59.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -108.6 74.43 0.54 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -30.54 22.37 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.375 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.75 -29.75 58.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.3 t -87.3 126.28 62.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 155.63 65.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.489 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 2.4 p -111.2 109.87 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' PHE . 10.0 t-20 -64.76 79.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' ASN . 19.1 t80 -37.89 -56.44 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . -37.12 -44.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 49' ' ' SER . 10.8 mm-40 -88.12 -55.46 3.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 7.8 t80 -41.93 -25.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.8 t -81.51 -42.47 20.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -60.1 -28.94 68.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -26.47 25.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.424 ' SG ' ' CE1' ' A' ' 48' ' ' PHE . 36.3 m -77.41 -51.38 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.7 p -51.45 -50.53 59.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.66 -35.85 79.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -73.38 -14.49 61.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.472 ' CZ2' ' HD3' ' A' ' 64' ' ' LYS . 72.6 t-105 -85.23 -51.49 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -64.38 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.9 p -72.97 -34.71 66.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.5 mtp -55.48 169.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 63' ' ' GLU . 2.8 m -118.64 143.74 46.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -34.57 -36.0 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' SER . 62.5 tttt -63.12 -46.35 87.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' SER . 29.8 mm-40 -71.53 -36.23 70.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HD3' ' CZ2' ' A' ' 56' ' ' TRP . 37.0 mttp -68.0 -28.74 67.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 m -41.37 -43.5 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -52.53 -45.2 66.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.426 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 78.6 m-85 -82.42 -17.75 44.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -71.06 -44.35 65.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -66.43 -45.41 79.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.0 mtm -59.06 -42.94 91.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.02 95.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -46.67 -48.49 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.43 94.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -45.94 -44.71 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -61.44 -47.65 84.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.5 t -53.67 -48.66 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 78' ' ' TYR . 5.3 tmm_? -47.31 -53.89 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.444 ' N ' ' HD2' ' A' ' 77' ' ' ARG . 1.4 t80 -52.23 -53.76 39.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -49.62 -57.23 7.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -51.87 -45.23 64.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.89 -29.87 69.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.5 mmt -78.14 -27.0 48.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -62.31 -37.28 84.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.38 -36.56 19.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -68.58 -55.57 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -62.2 -53.24 58.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -86.63 146.43 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.04 70.48 0.12 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -41.9 151.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -67.08 135.74 54.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.46 101.46 0.2 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ttt -91.39 109.59 20.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.342 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.86 104.96 12.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -68.67 -54.56 15.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.6 -111.9 3.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -107.54 142.63 25.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.836 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -26.55 27.23 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.658 2.238 . . . . 0.0 112.336 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 47.48 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -125.36 129.32 24.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.586 0.708 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.467 ' CG ' ' HE2' ' A' ' 82' ' ' MET . 53.8 Cg_endo -69.73 124.49 11.15 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.668 2.246 . . . . 0.0 112.376 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -78.37 148.46 33.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.456 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . -50.43 151.18 5.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.439 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -77.53 141.55 39.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 63.1 mtp -90.12 138.68 31.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' ALA . 64.1 m -96.88 156.09 16.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -33.66 -50.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -55.81 -51.02 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.25 -57.06 9.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -46.98 -42.38 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.46 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 45.9 t80 -62.3 -44.26 96.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.02 -52.22 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.168 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -55.62 -44.28 76.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -52.36 -55.95 18.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.8 m -57.05 -34.36 68.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.536 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 45.7 mtm180 -66.0 -47.92 72.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -65.13 -41.28 94.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -62.52 -39.71 94.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -63.14 -46.08 88.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -68.08 -33.61 74.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -58.78 -32.32 69.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.62 -53.17 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.4 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . 15.0 m-20 -110.93 68.35 0.59 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.588 0.709 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -9.76 26.9 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.674 2.25 . . . . 0.0 112.36 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.59 -25.04 15.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.453 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 1.8 p -90.88 136.36 27.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.578 0.704 . . . . 0.0 111.162 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.453 ' HD2' ' CG2' ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.8 174.59 9.33 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.5 p -140.51 106.31 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' PHE . 7.2 m-20 -69.16 87.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' ASN . 13.7 t80 -37.31 -53.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.47 -55.15 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -74.52 -56.39 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.536 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 10.3 t80 -42.38 -32.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.93 -40.37 60.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -32.58 61.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 4.3 pttt -81.29 -31.4 33.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 60.3 m -76.48 -59.99 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.0 p -45.54 -44.29 12.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.485 ' O ' ' CG2' ' A' ' 58' ' ' THR . 20.5 mt-10 -69.2 -40.0 78.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -61.21 -32.12 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.432 ' NE1' ' HE2' ' A' ' 64' ' ' LYS . 73.7 t-105 -71.08 -59.71 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -53.73 -29.3 38.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 63.4 p -73.45 -24.67 60.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.421 ' HE2' ' C ' ' A' ' 63' ' ' GLU . 9.1 mmm -48.53 178.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -122.66 30.64 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.42 -64.9 1.37 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -52.07 -21.95 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.421 ' C ' ' HE2' ' A' ' 59' ' ' MET . 38.6 mm-40 -85.97 -32.85 21.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' HE2' ' NE1' ' A' ' 56' ' ' TRP . 92.5 mttt -61.72 -37.91 85.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.1 m -35.62 -51.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 65' ' ' SER . 12.5 tttt -37.47 -47.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 40.4 m-85 -92.63 -28.49 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -56.85 -38.39 72.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.74 -50.64 28.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 30.9 mtm -51.49 -34.56 36.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.04 -45.51 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -46.93 17.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.8 -54.64 24.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -46.96 -41.26 15.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.32 -45.8 92.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.5 t -56.2 -40.18 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -63.39 -53.43 52.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.542 ' CZ ' ' SD ' ' A' ' 82' ' ' MET . 44.8 t80 -59.05 -35.5 73.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.05 -58.13 9.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -63.12 -33.4 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.89 -45.23 94.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.542 ' SD ' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -57.92 -36.63 72.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -61.34 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -60.8 -46.05 92.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -62.28 -68.57 0.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -55.48 133.91 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 m -143.68 126.72 16.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.31 93.26 0.45 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.442 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -158.61 157.54 32.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -82.55 -59.03 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.07 -140.48 14.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -133.14 118.99 19.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.7 173.03 9.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -68.12 170.22 8.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.17 -97.44 0.13 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.522 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.83 144.56 46.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -33.76 16.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -74.18 62.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 15.0 ttpt -159.44 139.83 8.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.551 0.691 . . . . 0.0 110.911 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.6 Cg_endo -69.79 156.11 64.09 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.26 26.12 5.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.533 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . 87.15 169.56 45.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -84.09 136.37 34.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.769 0.318 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.6 mmm -104.88 147.33 27.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -108.4 159.37 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.5 -44.08 35.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.046 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.472 ' HB2' ' NE1' ' A' ' 56' ' ' TRP . 3.5 t80 -56.65 -46.91 80.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.3 -59.64 4.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.141 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -39.71 -50.19 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -53.21 -41.96 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.6 -51.47 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -52.21 -45.99 65.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -55.34 -52.74 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.5 m -55.78 -37.63 68.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.525 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 18.7 mtp180 -62.35 -53.51 53.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -54.44 -36.58 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -69.05 -33.42 73.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.464 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 11.7 t60 -67.56 -45.3 76.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 35' ' ' LYS . 9.1 tmtt? -70.12 -38.71 75.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -52.92 -26.53 15.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -104.27 -55.56 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.11 73.91 2.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -35.77 12.0 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.2 -33.0 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.8 t -82.89 133.4 48.73 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.646 0.736 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 171.32 14.65 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.709 2.273 . . . . 0.0 112.309 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.464 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 7.2 p -128.61 101.69 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLU . 27.3 m-20 -60.69 82.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' ASN . 15.2 t80 -35.01 -53.31 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.85 -44.32 14.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' LYS . 7.8 mt-10 -85.04 -59.45 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.525 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 12.1 t80 -38.22 -35.95 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -71.04 -43.56 67.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.5 tppp? -47.51 -35.93 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -82.79 -29.29 29.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 18.1 m -90.01 -66.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 49' ' ' SER . 99.2 p -38.93 -54.45 1.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -57.69 -38.87 75.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' CYS . 37.3 mtt180 -67.04 -17.4 64.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.472 ' NE1' ' HB2' ' A' ' 23' ' ' TYR . 73.4 t-105 -80.6 -55.45 4.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -57.26 -28.95 63.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.934 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.6 p -78.17 -31.4 49.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.3 mtp -61.31 156.59 18.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 m -108.0 157.64 18.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -45.11 -40.82 7.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -57.54 -47.39 82.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -70.53 -51.05 31.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -55.65 -19.81 11.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.7 p -47.86 -48.54 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.501 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 19.1 ptmt -46.77 -44.42 19.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.501 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 85.1 m-85 -85.23 -9.98 57.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -74.86 -52.84 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.94 -39.34 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.4 mtm -61.63 -53.01 61.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.02 -41.84 68.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -47.11 -47.11 23.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.94 -40.21 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.04 -32.71 35.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -66.67 -35.96 81.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.83 -48.75 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -58.74 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.533 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 68.8 t80 -48.97 -47.29 44.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.91 -44.99 87.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -64.32 -40.48 95.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.56 -37.27 82.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.1 mmt -62.27 -29.6 70.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -65.98 -53.65 36.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.74 -46.44 72.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.468 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 7.9 t80 -56.84 -47.64 79.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -70.04 169.47 13.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.4 t -98.12 92.6 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.68 126.9 0.96 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -90.94 -49.6 6.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -139.33 156.16 47.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.4 -101.27 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.8 tpp -68.55 120.46 14.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.88 105.97 14.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -136.62 176.17 8.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.64 -125.54 8.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 4.5 t70 -127.41 140.22 37.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 53.4 Cg_endo -69.83 -35.59 12.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -44.49 -42.95 7.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -59.12 137.2 88.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.611 0.719 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.451 ' CG ' ' SD ' ' A' ' 82' ' ' MET . 53.8 Cg_endo -69.79 171.52 14.36 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 78' ' ' TYR . 67.1 tttt -81.34 123.76 28.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.22 164.29 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.564 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 16.2 mttp -78.4 133.79 37.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 56.4 mtp -117.95 151.78 36.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 m -98.54 153.07 18.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.63 -39.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -63.71 -55.41 23.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.65 -51.74 20.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -46.19 -44.08 15.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -61.2 -48.49 81.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.5 -42.81 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -65.68 -46.92 77.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.7 m -57.36 -53.39 58.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.4 m -54.93 -36.76 65.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 10.2 mtp-105 -65.06 -54.21 33.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -50.73 -35.6 32.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -68.16 -39.79 82.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.526 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 10.2 t60 -62.24 -50.24 72.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -65.81 -59.05 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' LYS . 40.0 mtpt -34.84 -33.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' LYS . 37.7 mmtt -94.88 -61.81 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -107.79 76.82 0.59 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -32.08 19.26 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.14 -31.88 64.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.2 t -86.3 122.25 72.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 165.5 30.81 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.526 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 3.6 p -121.69 107.59 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' PHE . 1.9 m-20 -60.45 76.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 43' ' ' VAL . 10.5 t80 -35.53 -56.04 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -39.26 -46.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.058 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' SER . 6.1 mt-10 -86.54 -57.46 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 14.0 t80 -41.04 -24.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.1 t -81.64 -41.98 20.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -57.85 -27.05 62.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -32.99 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.0 m -71.27 -48.64 49.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 p -54.09 -56.52 17.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -53.18 -41.62 65.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -61.9 -25.96 67.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -71.56 -45.19 62.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -72.31 -30.13 64.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.5 p -76.63 -30.25 56.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtp -59.49 167.27 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 61' ' ' GLY . 2.6 t -116.77 150.01 38.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -34.35 -37.45 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 60' ' ' SER . 12.4 mmtp -60.55 -57.27 13.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.713 0.292 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -63.13 -35.36 80.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 65' ' ' SER . 54.6 mttt -67.36 -43.53 81.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 64' ' ' LYS . 2.7 t -35.04 -46.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -40.16 -49.73 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -92.6 -28.97 16.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.58 -27.41 26.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -86.08 -40.32 15.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 26.7 mtm -61.34 -45.83 92.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.1 98.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -52.24 -35.1 48.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -86.01 -42.57 13.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -36.87 -29.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 73' ' ' ALA . 9.0 ttpt -71.76 -52.45 17.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 p -66.4 -36.83 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -63.75 -56.89 12.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 21.4 t80 -62.04 -49.01 77.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -53.93 -50.48 66.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -61.74 -16.74 51.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -95.26 -31.11 13.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.451 ' SD ' ' CG ' ' A' ' 16' ' ' PRO . 79.4 mmm -80.94 -27.63 36.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -68.52 -26.25 65.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -97.03 -27.73 14.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -75.03 -43.84 51.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 m -123.08 110.63 15.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.876 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -119.65 174.82 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.5 172.04 29.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 t -149.26 163.38 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -111.46 161.87 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.97 -52.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.6 ptp -110.76 157.53 19.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.731 0.3 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.26 85.76 3.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.076 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -153.25 148.99 27.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.3 121.37 0.82 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -95.89 153.63 39.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.563 0.697 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -12.76 33.61 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.758 2.305 . . . . 0.0 112.355 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -93.69 -41.93 9.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -93.86 137.64 23.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.6 0.714 . . . . 0.0 110.941 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.442 ' CG ' ' HE3' ' A' ' 82' ' ' MET . 53.4 Cg_endo -69.8 159.02 54.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.8 pttp -129.7 22.67 5.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.84 155.14 30.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.444 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.487 ' HB3' ' CG ' ' A' ' 78' ' ' TYR . 11.3 pttm -110.7 124.32 51.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.9 mtp -83.56 154.91 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.57 178.62 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . . . -49.75 -38.85 35.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -67.43 -50.91 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.2 -53.06 62.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -48.08 -41.12 25.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -63.07 -52.01 64.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.2 -46.18 84.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -60.14 -63.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.8 m -41.75 -44.58 3.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.45 -48.57 79.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.489 ' NH2' ' CD1' ' A' ' 45' ' ' PHE . 16.1 mtt180 -52.6 -49.18 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -61.15 -43.29 99.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -62.58 -16.76 57.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.41 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 5.3 t60 -90.14 -49.53 6.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -67.87 -54.35 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -38.74 -35.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 11.4 mtmm -93.03 -56.78 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -108.97 69.15 0.38 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.7 Cg_endo -69.74 -14.47 36.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.643 2.229 . . . . 0.0 112.355 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -89.35 -22.8 22.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -95.94 130.72 30.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 173.53 10.81 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.659 2.24 . . . . 0.0 112.368 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' PHE . 2.7 p -134.55 97.87 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -54.36 83.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' VAL . 12.0 t80 -40.01 -55.35 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.5 -42.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -89.19 -61.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 5.1 t80 -39.16 -32.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -47.01 27.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -56.75 -34.2 67.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -80.3 -32.68 38.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 2.5 m -66.99 -43.15 83.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -60.53 -60.06 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -51.43 -31.89 24.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.9 mtt-85 -71.39 -28.38 63.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.488 ' CZ2' ' HB3' ' A' ' 22' ' ' ALA . 76.8 t-105 -69.65 -46.69 65.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -66.4 -30.91 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.3 p -77.13 -30.3 55.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.9 mtp -56.18 158.1 4.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -104.12 152.01 22.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.56 -30.75 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -57.47 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -58.79 -28.13 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 65' ' ' SER . 67.6 mttt -77.38 -43.53 32.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 64' ' ' LYS . 31.5 t -35.11 -49.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -37.45 -51.01 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -90.2 -41.21 11.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -41.85 -30.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -88.67 -41.48 12.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.5 mtm -61.67 -22.36 65.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.13 -50.02 17.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.87 -39.7 40.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.63 -53.65 12.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -46.96 -41.7 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -55.84 -45.99 78.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.468 HG12 ' CZ ' ' A' ' 80' ' ' ARG . 65.8 t -51.33 -61.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 78' ' ' TYR . 9.1 tpp180 -45.95 -61.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.55 ' CZ ' ' SD ' ' A' ' 82' ' ' MET . 23.4 t80 -50.09 -56.53 10.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.413 ' C ' ' OD1' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -39.63 -60.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.468 ' CZ ' HG12 ' A' ' 76' ' ' VAL . 1.2 mpp_? -57.0 -41.43 78.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.42 ' CD ' ' HD2' ' A' ' 77' ' ' ARG . 30.7 mt-10 -59.6 -38.82 82.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.55 ' SD ' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -65.35 -32.11 73.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -71.81 -41.23 68.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.36 -43.13 52.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -73.51 -55.42 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 m -110.91 172.6 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 110.902 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 p -78.64 -44.9 22.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.93 112.92 3.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.527 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -58.75 166.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -149.76 129.46 13.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.5 -143.55 17.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.79 173.16 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.91 108.99 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' N ' ' HE2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -70.07 164.02 24.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -49.32 157.88 1.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.31 161.1 31.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.422 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 54.0 Cg_endo -69.7 6.76 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.381 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 63.41 46.83 4.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 27.0 ttpt -93.6 140.1 23.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.56 0.695 . . . . 0.0 110.91 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.499 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 54.2 Cg_endo -69.7 113.62 3.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -102.26 87.01 2.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.518 ' HA2' ' CZ ' ' A' ' 78' ' ' TYR . . . 41.66 -163.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 8.3 mtmp? -114.24 134.79 54.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.6 mtp -85.6 136.31 33.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 m -99.83 152.54 20.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.65 -46.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -50.02 -57.92 6.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.37 -57.27 4.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.092 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 70' ' ' MET . 26.3 m-85 -40.93 -48.86 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -54.48 -43.11 71.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.94 -52.68 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -55.95 -61.04 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 m -49.39 -50.34 40.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.5 m -53.54 -40.8 65.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -61.45 -52.68 63.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -29.85 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -69.76 -45.19 68.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -62.33 -43.55 98.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -73.08 -43.61 61.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.41 -30.55 8.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -99.32 -47.54 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -115.07 66.38 1.96 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.642 0.734 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -5.58 16.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -102.51 -21.65 14.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.464 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 1.8 p -93.7 136.73 23.68 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.78 171.19 14.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.366 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 45' ' ' PHE . 2.2 p -141.59 106.33 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' PHE . 2.8 m120 -59.64 79.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' VAL . 29.5 t80 -35.51 -53.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.42 -44.71 17.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' ASN . 3.3 mm-40 -80.92 -58.28 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 5.7 t80 -41.06 -31.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 t -79.06 -43.13 24.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -29.42 64.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -83.27 -31.64 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.875 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' ARG . 2.0 m -65.26 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 55.2 p -43.24 -44.27 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.86 -29.35 68.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' CYS . 26.4 mtp85 -82.54 -19.64 38.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -76.18 -55.63 5.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -31.41 68.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.1 p -76.48 -31.57 57.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mtp -55.64 164.14 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -105.67 149.3 26.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -38.81 -39.98 0.97 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -61.63 -49.26 77.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -59.74 -36.99 77.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -74.4 -32.72 62.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -39.82 -57.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 14.6 ptmt -46.17 -41.5 12.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.416 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 78.7 m-85 -83.3 -17.95 40.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -67.97 -53.63 24.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.91 -43.74 91.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.476 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 75.2 mtm -57.64 -45.35 85.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.474 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . . . -61.85 -41.53 97.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -49.5 -44.76 46.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.33 -43.77 89.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.42 -21.2 66.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.97 -28.48 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.9 t -84.65 -41.78 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -30.29 66.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.523 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 70.1 t80 -76.88 -52.72 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -47.82 -40.61 21.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -75.1 -51.04 14.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -48.17 -38.4 18.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.9 mmt -66.96 -36.22 81.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -62.62 -40.57 97.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -81.29 -40.54 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -65.5 -55.67 16.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.443 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p -84.71 42.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.821 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m 45.28 42.14 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.26 175.77 19.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.492 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -157.12 156.75 33.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.885 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -146.88 156.93 43.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.59 -39.87 2.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 ptm -80.08 158.46 26.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.13 120.59 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -88.46 169.47 11.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.88 -94.46 0.11 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -92.32 146.22 32.15 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.719 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -40.6 5.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.308 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -65.55 -37.37 86.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.567 ' CG ' ' CZ ' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -46.79 137.7 7.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.874 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.566 ' HB2' ' CD1' ' A' ' 78' ' ' TYR . 53.8 Cg_endo -69.78 147.29 62.4 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.349 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' GLY . 2.0 pttm -92.2 132.81 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -35.72 141.74 0.15 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -65.81 136.88 56.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.4 mtm -112.55 161.07 17.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ALA . 35.2 m -99.67 150.96 21.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -34.2 -41.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.44 ' HB2' ' NE1' ' A' ' 56' ' ' TRP . 4.4 t80 -58.32 -63.05 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.7 -58.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -41.15 -53.17 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -50.81 -48.66 59.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.11 -54.13 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -54.88 20.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.0 m -48.12 -49.04 33.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.0 m -55.01 -48.2 73.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.522 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 9.3 mtp-105 -54.61 -49.23 70.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -59.84 -42.36 93.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -58.25 -23.95 57.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -85.48 -57.12 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.462 ' CD ' ' HA ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -54.85 -45.61 74.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -44.41 -38.03 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 23.9 mtpt -93.05 -58.3 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.418 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 3.6 m-80 -108.68 69.62 0.37 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.583 0.706 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.462 ' HA ' ' CD ' ' A' ' 35' ' ' LYS . 53.6 Cg_endo -69.74 -9.16 25.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -113.48 29.44 7.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.463 ' CG1' ' HD2' ' A' ' 42' ' ' PRO . 99.5 t -128.89 138.85 34.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.729 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.463 ' HD2' ' CG1' ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.69 143.36 50.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 45' ' ' PHE . 7.4 p -131.58 91.58 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' PHE . 2.7 m-20 -54.5 84.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 43' ' ' VAL . 30.5 t80 -35.94 -48.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.47 -52.72 12.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -75.55 -48.67 21.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.564 ' CD2' ' HE3' ' A' ' 51' ' ' LYS . 4.4 t80 -52.19 -29.11 20.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t -76.79 -45.49 28.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.34 -31.88 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.564 ' HE3' ' CD2' ' A' ' 48' ' ' PHE . 12.2 pttt -83.4 -32.46 26.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 69.5 m -79.5 -62.99 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.7 p -41.43 -53.75 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.36 -35.04 73.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -71.88 -15.26 62.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.44 ' NE1' ' HB2' ' A' ' 23' ' ' TYR . 70.3 t-105 -78.41 -37.46 43.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -33.06 54.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.9 p -72.1 -33.41 67.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.2 mtp -54.33 168.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' GLY . 3.1 m -116.81 148.3 41.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -36.28 -37.91 0.22 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.497 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -60.24 -60.48 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.299 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -60.27 -34.93 74.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 65' ' ' SER . 63.6 mttt -66.09 -44.04 85.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.4 t -35.36 -46.3 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -39.99 -49.13 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -92.42 -30.07 15.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -53.51 -38.43 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -75.82 -43.14 47.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 61.6 mtm -58.3 -47.04 84.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.81 -51.95 67.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -45.78 -38.39 7.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.22 -48.01 31.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.425 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 29.9 t0 -38.73 -42.59 0.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -58.41 -52.89 63.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.5 t -57.53 -52.4 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.2 tmm_? -55.36 -49.48 72.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 43.7 t80 -64.08 -36.94 85.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.34 -38.69 91.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -76.8 -21.48 55.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -85.76 -10.23 55.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.5 mmt -92.77 -26.14 17.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -64.03 -21.18 66.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -102.45 -35.87 8.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.567 ' CZ ' ' CG ' ' A' ' 15' ' ' LYS . 5.0 t80 -73.13 -39.89 65.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t -62.4 133.17 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.0 p -87.38 95.09 9.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.43 -165.79 12.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -67.84 172.49 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -96.52 -52.12 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.98 46.12 0.31 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 mtt -131.47 130.8 42.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.08 132.73 33.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.44 -47.6 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.77 -171.82 13.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.16 145.31 66.54 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.826 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -1.07 7.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.353 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -82.58 -25.56 33.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.545 ' CG ' ' CE2' ' A' ' 85' ' ' TYR . 15.5 mtpp -74.92 158.07 84.9 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.619 0.724 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 140.97 44.0 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 2.268 . . . . 0.0 112.368 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.61 144.74 29.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.86 140.47 9.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -63.41 136.53 57.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.6 mtm -106.68 160.09 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.5 m -111.48 163.72 13.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 68' ' ' ASP . . . -37.75 -54.09 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.591 ' CE1' ' SG ' ' A' ' 52' ' ' CYS . 92.8 t80 -51.12 -46.25 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.59 -58.44 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -47.89 -42.6 27.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.401 ' HD1' ' CE2' ' A' ' 67' ' ' PHE . 58.2 t80 -60.87 -26.92 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.2 t -83.52 -55.01 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -54.67 -55.47 29.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.2 m -46.73 -57.43 4.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -56.13 -42.17 76.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 46.2 mtm180 -57.79 -51.97 67.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -53.15 -40.16 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.05 -35.27 79.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -61.91 -40.94 97.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -73.99 -44.03 56.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -36.03 32.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 46.8 mttm -95.2 -56.21 2.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -110.23 68.05 0.5 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.74 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.42 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.74 -17.96 37.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.385 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 41' ' ' VAL . 7.4 pt-20 -80.55 -38.72 29.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.401 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 60.8 t -82.96 127.81 68.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.74 59.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.39 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -111.05 104.59 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 47' ' ' GLU . 2.1 m-20 -70.75 88.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' ASN . 14.1 t80 -35.82 -45.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.53 -46.67 63.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 44' ' ' ASN . 15.4 mm-40 -80.72 -52.66 7.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.481 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 4.4 t80 -48.66 -37.33 18.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -75.9 -45.92 32.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -31.48 63.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -24.62 41.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.591 ' SG ' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -67.71 -62.03 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.7 t -37.77 -54.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.493 ' O ' ' CG2' ' A' ' 58' ' ' THR . 4.5 mm-40 -64.71 -31.75 73.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 52' ' ' CYS . 56.1 mtt180 -76.1 -19.14 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CD1' ' HE2' ' A' ' 64' ' ' LYS . 64.0 t-105 -84.97 -55.62 3.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -56.97 -28.59 62.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 75.1 p -75.6 -21.04 58.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.411 ' HE2' ' C ' ' A' ' 63' ' ' GLU . 8.3 mmm -48.02 176.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.9 m -118.73 26.2 9.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.81 -57.53 2.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -58.79 -24.39 61.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' C ' ' HE2' ' A' ' 59' ' ' MET . 6.8 mm-40 -81.07 -31.31 34.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.529 ' HE2' ' CD1' ' A' ' 56' ' ' TRP . 83.2 mttt -67.48 -46.65 72.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' LYS . 14.9 m -37.73 -47.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' SER . 7.1 ttpp -37.25 -49.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.401 ' CE2' ' HD1' ' A' ' 26' ' ' PHE . 20.0 m-85 -91.2 -40.19 11.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.41 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 1.7 t70 -46.38 -38.11 8.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -77.18 -47.73 19.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.4 mtm -50.32 -40.64 49.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.3 -53.11 54.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -42.22 -38.79 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.44 -48.81 16.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.1 OUTLIER -38.45 -42.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 16.2 ttmm -56.63 -52.14 66.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 83.7 t -56.83 -41.84 76.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -46.51 73.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.32 -53.69 55.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -45.28 -45.02 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -64.88 -51.49 61.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -50.46 -40.18 50.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.3 mmt -61.75 -37.83 85.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -69.7 -30.19 67.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.23 -47.92 13.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.545 ' CE2' ' CG ' ' A' ' 15' ' ' LYS . 5.9 t80 -68.11 -50.34 55.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.447 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 p -89.73 -54.46 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.885 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 m -49.08 164.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.98 146.9 14.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 t -80.52 148.81 30.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.369 . . . . 0.0 110.86 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -57.89 -51.34 70.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.83 -173.12 33.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.94 134.38 35.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 0.0 110.828 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.02 163.28 24.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.4 137.3 52.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -42.63 105.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 9.0 t0 -59.41 140.62 88.3 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 53.9 Cg_endo -69.8 -90.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -109.14 -8.27 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -77.77 150.86 79.2 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 53.2 Cg_endo -69.74 122.84 9.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.642 2.228 . . . . 0.0 112.317 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' O ' ' CD ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -99.05 -1.84 38.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.56 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . 128.73 -171.87 19.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.555 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 29.6 mtmt -121.04 141.92 50.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.1 mtm -131.77 157.97 42.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.1 m -101.15 155.56 17.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.44 -40.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -62.04 -58.93 6.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.21 -45.3 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -52.72 -44.07 66.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -61.8 -49.63 75.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -61.97 -41.13 89.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -65.05 -45.79 83.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.4 m -52.92 -57.74 9.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.7 t -52.78 -42.53 65.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.553 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 22.3 mtm180 -57.8 -52.27 66.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.3 -35.55 62.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.88 -30.21 65.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -70.23 -38.59 75.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -74.39 -28.84 61.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -64.7 -30.31 71.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -100.87 -51.37 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -111.59 68.59 0.76 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -25.37 28.54 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -105.23 32.49 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.459 ' CG1' ' HD2' ' A' ' 42' ' ' PRO . 86.7 t -134.61 138.4 29.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.592 0.71 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.459 ' HD2' ' CG1' ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.8 155.11 66.64 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' PHE . 4.8 p -132.64 97.26 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' PHE . 37.3 m-20 -58.51 85.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' VAL . 9.4 t80 -37.84 -52.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.91 -46.03 3.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 50' ' ' LYS . 11.6 mt-10 -83.44 -57.99 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.553 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 5.2 t80 -40.33 -31.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.36 -45.14 56.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 47' ' ' GLU . 6.6 tppt? -51.07 -35.53 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.547 ' HE2' ' CD2' ' A' ' 48' ' ' PHE . 1.8 pttm -78.71 -26.3 44.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.9 m -88.01 -66.11 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.9 p -42.29 -56.02 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -53.87 -33.39 56.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.0 mtt85 -75.79 -29.61 58.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.439 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 74.7 t-105 -65.67 -29.99 70.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -86.6 -33.37 20.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.9 p -75.06 -15.36 60.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.5 mtp -74.69 165.54 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.8 m -112.54 154.88 25.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.04 -35.36 1.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -64.35 -43.54 94.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.717 0.294 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -73.32 -35.62 66.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 63.1 mttt -70.52 -41.17 72.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.7 m -35.05 -48.1 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -39.33 -49.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -90.78 -30.58 16.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -49.26 -36.77 21.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.4 -45.61 37.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 69.2 mtm -58.27 -40.69 82.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.89 -43.16 89.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -58.7 -26.35 63.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.0 -23.34 18.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -24.17 66.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -81.01 -43.24 19.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.37 -34.55 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.499 ' NE ' ' OE2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -65.88 -55.32 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 16' ' ' PRO . 53.9 t80 -58.75 -40.9 85.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.68 -51.27 70.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -66.49 -24.52 66.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.499 ' OE2' ' NE ' ' A' ' 77' ' ' ARG . 56.3 mt-10 -82.12 -21.42 36.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.3 mmt -85.59 -28.2 24.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -24.93 62.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -96.27 -26.04 15.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -83.12 -40.72 19.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HG3' ' CD1' ' A' ' 78' ' ' TYR . 31.9 mtmm -70.39 134.02 47.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.8 mtp -108.65 148.89 29.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -105.88 158.67 16.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.47 -47.14 3.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -50.99 -62.21 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.35 -54.01 3.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -44.97 -49.94 10.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -53.9 -44.86 70.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.4 t -66.92 -49.03 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -61.5 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.5 m -46.22 -41.68 13.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.19 -40.6 96.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.579 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 8.9 mtp-105 -63.97 -55.55 21.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -48.59 -37.75 18.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.74 -38.55 80.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -62.44 -36.2 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HD3' ' C ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -73.15 -33.79 65.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -58.65 -33.92 70.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.446 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 2.5 mmmm -97.6 -54.03 3.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.416 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 2.0 m-80 -110.29 67.81 0.5 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.2 Cg_endo -69.82 -23.79 30.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.54 31.36 5.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 42' ' ' PRO . 95.2 t -129.08 138.85 34.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.671 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.78 148.97 66.1 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 43' ' ' VAL . 7.7 p -132.57 98.79 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' PHE . 19.7 t30 -63.84 87.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' ASN . 15.3 t80 -37.3 -43.61 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.58 -52.21 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.076 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.79 -53.06 9.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 21.3 t80 -45.37 -40.24 7.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -69.94 -43.81 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.17 -33.59 41.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 8.4 ptpt -84.12 -31.14 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 85.0 m -76.48 -62.73 1.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -44.72 -48.18 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 58' ' ' THR . 12.3 mm-40 -61.68 -28.69 69.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -80.1 -17.62 52.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.404 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 74.1 t-105 -80.46 -40.28 26.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -73.97 -33.1 63.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 54' ' ' GLU . 69.8 p -77.47 -13.78 59.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.8 mtp -71.87 157.14 38.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 63' ' ' GLU . 1.8 t -102.8 143.45 32.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -35.72 -36.94 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -61.94 -46.78 87.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.692 0.282 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 60' ' ' SER . 5.5 mp0 -67.28 -44.72 78.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 70.7 mttt -60.32 -25.3 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -44.66 -53.98 6.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.489 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 14.2 ptmt -45.5 -40.53 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.489 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 78.5 m-85 -89.37 -13.0 38.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -75.77 -45.5 35.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -60.89 -40.98 95.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.4 mtm -66.26 -57.7 6.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.817 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.45 -48.79 68.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -49.28 -33.62 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.68 -19.48 27.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -73.63 -17.26 61.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -88.38 -33.39 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 p -80.15 -33.38 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -69.04 -49.5 56.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.457 ' CD1' ' HG3' ' A' ' 19' ' ' LYS . 57.3 t80 -63.04 -42.56 99.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -56.1 -47.09 78.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 mtm105 -65.88 -39.54 90.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.66 -39.05 83.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.0 mmt -63.42 -32.7 74.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -58.96 -45.46 90.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.53 -38.85 54.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -64.43 -61.15 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.54 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -112.66 116.21 29.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.744 0.307 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.432 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 3.6 mtm -99.82 158.18 15.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 22' ' ' ALA . 7.0 m -110.08 159.21 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -36.32 -47.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.072 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -53.95 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.43 -43.6 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.114 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -53.9 -43.59 69.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -61.77 -47.67 84.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.26 -41.81 88.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -64.72 -48.93 72.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.1 m -53.92 -53.53 51.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.4 t -53.72 -41.05 66.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.593 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 14.8 mtt180 -60.51 -42.74 97.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -60.26 -43.6 96.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -59.28 -30.56 68.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -67.57 -63.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -41.76 -58.09 2.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.81 -33.98 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 33.5 mmtm -91.16 -61.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.46 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 5.6 m120 -109.38 70.51 0.47 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.71 -14.88 36.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.381 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -113.48 24.96 11.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.587 HG13 ' HD2' ' A' ' 42' ' ' PRO . 57.9 t -128.99 137.68 31.54 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.663 0.744 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.587 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.4 Cg_endo -69.75 163.52 37.96 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.36 104.96 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -68.5 91.68 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -40.1 -53.05 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.72 -38.64 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -89.88 -58.31 2.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.593 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 23.2 t80 -41.72 -33.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.64 -44.39 57.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.27 -29.66 6.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 3.9 ptpp? -88.98 -30.75 18.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 80.4 m -73.46 -64.19 1.04 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.3 p -44.58 -49.56 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 58' ' ' THR . 15.2 mm-40 -59.82 -27.28 66.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' CYS . 27.5 mtt180 -80.83 -21.62 40.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -76.43 -40.9 49.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -73.74 -29.2 62.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 54' ' ' GLU . 72.8 p -78.13 -30.33 49.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.9 mtp -62.17 152.23 33.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 p -95.93 151.85 19.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -38.62 -32.35 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -60.03 3.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -55.48 -36.35 66.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 65' ' ' SER . 73.6 mttt -67.26 -43.18 82.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' LYS . 5.8 t -35.83 -49.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' SER . 12.5 tttt -37.64 -50.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -89.15 -26.72 21.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' CB ' ' HA ' ' A' ' 65' ' ' SER . 6.9 t0 -53.32 -41.42 65.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -72.81 -43.73 62.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 72.6 mtm -59.88 -38.14 81.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.35 -47.48 76.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -53.98 -23.04 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.67 -14.92 18.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.08 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 20' ' ' MET . 4.4 t70 -65.72 -23.27 66.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -83.38 -45.07 14.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p -74.7 -32.22 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.408 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.1 tmm_? -70.35 -40.11 74.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.54 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 88.5 t80 -68.84 -45.75 70.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.987 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -50.03 -51.54 41.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -60.69 -37.8 82.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.15 -44.49 94.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.505 ' SD ' ' CZ ' ' A' ' 78' ' ' TYR . 63.6 mmm -60.95 -33.87 73.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -53.19 -38.04 62.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.89 -45.77 26.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -60.05 -58.69 7.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.442 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.504 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 31.8 mtmm -108.83 135.68 49.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.5 mtp -112.71 130.94 55.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' ALA . 26.3 m -86.04 154.06 21.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -36.14 -44.07 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -57.75 -57.77 11.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.56 -55.11 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -43.06 -48.68 6.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -55.95 -50.13 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.463 HG22 ' HB3' ' A' ' 52' ' ' CYS . 67.9 t -59.1 -40.72 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -65.02 -48.35 74.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.534 HG22 ' OE1' ' A' ' 33' ' ' GLU . 33.1 m -58.93 -52.71 64.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.4 m -52.16 -40.85 62.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.59 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 16.3 mtp180 -59.59 -51.54 69.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -57.81 -39.02 76.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.534 ' OE1' HG22 ' A' ' 29' ' ' THR . 20.6 mt-10 -66.66 -31.19 71.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -71.87 -42.21 67.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -52.68 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.6 -27.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.429 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 18.4 mtpp -100.25 -56.4 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -108.73 70.66 0.4 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.74 -22.75 31.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -85.56 -23.25 27.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.0 t -94.07 131.23 32.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.662 0.744 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 179.79 3.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.0 p -140.05 109.35 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' GLU . 24.8 m-20 -67.13 81.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 44' ' ' ASN . 13.7 t80 -34.53 -53.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.45 -45.34 9.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' ASN . 8.8 mm-40 -84.2 -56.21 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.59 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 30.8 t80 -40.49 -33.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t -78.01 -41.93 34.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -55.57 -29.18 58.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -92.04 -34.25 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.463 ' HB3' HG22 ' A' ' 27' ' ' VAL . 13.5 m -64.71 -36.27 83.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 m -69.97 -53.77 16.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.732 ' O ' HG23 ' A' ' 58' ' ' THR . 11.1 mm-40 -58.45 -27.56 64.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -73.46 -32.73 64.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -65.73 -49.98 66.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -65.23 -38.11 89.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.732 HG23 ' O ' ' A' ' 54' ' ' GLU . 82.2 p -71.06 -32.83 69.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.3 mtp -52.43 159.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' GLY . 8.4 t -100.62 143.62 30.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -34.49 -41.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -58.76 -55.4 35.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.736 0.303 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -58.62 -34.08 70.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 65' ' ' SER . 68.5 mttt -69.92 -45.22 67.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' LYS . 68.1 m -36.13 -47.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -41.61 -47.65 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -92.37 -24.75 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -59.84 -25.39 64.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -87.15 -37.36 17.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 34.6 mtm -65.68 -49.94 66.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.96 -48.95 74.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -46.22 -40.92 12.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.85 -13.63 41.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.064 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -76.05 -20.86 57.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -87.08 -36.32 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 p -80.78 -34.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -44.44 81.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 88.9 t80 -62.98 -47.61 82.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -46.89 -55.85 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -63.23 -36.91 85.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.36 -38.96 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 mmt -71.98 -24.27 61.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -72.59 -37.65 68.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.39 -41.08 20.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -63.64 -52.55 60.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.551 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -60.82 133.79 56.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 75.6 mtp -81.47 163.2 22.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 22' ' ' ALA . 37.1 m -118.66 153.12 34.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -34.04 -52.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -55.93 -63.16 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.03 -45.46 7.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.049 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -55.04 -38.59 68.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -65.1 -42.19 94.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.13 -41.1 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -67.14 -51.63 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.3 m -49.82 -52.17 34.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 m -58.24 -37.27 74.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.406 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 23.6 mtm180 -62.89 -48.72 77.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -55.39 -40.58 71.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -68.24 -35.24 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.421 ' NE2' ' HB ' ' A' ' 43' ' ' VAL . 17.7 t60 -65.2 -39.84 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -73.87 -44.95 53.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -53.33 -36.5 61.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 36.3 mttp -93.45 -57.03 2.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.42 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 12.1 m-80 -109.24 68.87 0.4 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.451 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.7 Cg_endo -69.75 -28.11 25.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.334 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.41 37.06 2.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.528 HG13 ' HD2' ' A' ' 42' ' ' PRO . 93.0 t -132.99 135.45 25.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 111.143 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.528 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.74 141.96 46.75 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 43' ' ' VAL . 7.5 p -124.46 101.59 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 47' ' ' GLU . 2.2 m-20 -57.04 80.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' VAL . 6.8 t80 -35.68 -60.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.71 -40.71 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' ASN . 12.2 mt-10 -83.63 -63.0 1.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.406 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 3.1 t80 -42.36 -24.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -85.62 -43.31 13.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -52.7 -29.29 25.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -37.21 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.3 m -60.6 -54.67 42.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.2 p -56.63 -59.95 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 58' ' ' THR . 5.7 mm-40 -50.32 -32.03 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -70.8 -30.2 66.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -68.97 -57.65 5.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -56.28 -35.51 67.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 54' ' ' GLU . 82.1 p -72.21 -33.65 67.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.3 mtp -56.87 170.51 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.7 t -106.91 165.76 11.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.07 -41.95 30.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.474 ' N ' ' HE3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.27 -54.5 36.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.748 0.308 . . . . 0.0 110.96 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -51.67 -33.23 32.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' SER . 78.5 mttt -80.33 -36.67 33.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 68' ' ' ASP . 3.5 t -37.88 -57.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.465 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 18.5 ptmt -41.24 -44.12 2.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.465 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 86.7 m-85 -82.29 -21.02 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' SER . 14.5 t0 -66.38 -58.25 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -49.92 -43.88 50.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.3 mtm -57.24 -52.85 63.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.6 91.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -44.01 -46.69 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.23 -46.27 64.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -49.95 -44.81 50.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.15 -47.78 77.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.2 t -55.02 -52.09 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -51.35 -59.28 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.551 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 44.3 t80 -50.98 -49.81 59.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -46.28 -55.64 6.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -57.54 -44.21 84.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.0 -19.44 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.6 mmt -82.68 -34.25 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -62.77 -47.96 81.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -68.49 -44.44 74.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -56.0 -63.09 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 38.6 mtmt -76.0 130.97 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 68.9 mtp -101.84 140.14 36.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' ALA . 49.6 m -98.51 148.87 23.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -34.26 -47.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.085 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -56.03 -54.61 42.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.77 -48.35 66.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -48.44 -42.01 31.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -61.91 -51.47 68.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.3 t -58.99 -46.34 91.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -62.57 -56.33 18.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 90.4 m -51.13 -50.6 58.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.38 -40.11 67.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 34.4 mtp180 -61.42 -52.6 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -56.15 -37.98 70.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -63.28 -38.46 91.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.06 -57.26 9.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -58.18 -47.55 83.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -47.17 -31.63 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -93.76 -60.56 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.624 ' HB2' HG12 ' A' ' 41' ' ' VAL . 11.0 m-80 -108.16 70.41 0.35 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.671 0.748 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.3 Cg_endo -69.73 -6.28 18.21 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.388 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -100.02 -21.8 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.624 HG12 ' HB2' ' A' ' 38' ' ' ASN . 1.8 p -94.89 136.7 22.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.612 0.72 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.477 ' HD2' HG22 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.76 172.24 13.0 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 43' ' ' VAL . 7.4 p -138.94 105.33 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' PHE . 35.4 t-20 -61.48 76.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' VAL . 29.4 t80 -34.52 -53.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.85 -50.92 5.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 49' ' ' SER . 6.5 mt-10 -79.12 -55.68 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 1.7 t80 -42.22 -23.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.1 t -83.67 -48.68 9.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -55.59 -21.01 15.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.419 ' HD3' ' CD ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -91.98 -30.73 15.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.22 -51.22 12.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.6 p -49.98 -61.02 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.626 ' O ' HG23 ' A' ' 58' ' ' THR . 18.3 mt-10 -52.79 -36.98 59.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.419 ' CD ' ' HD3' ' A' ' 51' ' ' LYS . 8.8 mtp85 -65.6 -25.73 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.479 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 72.1 t-105 -72.19 -39.81 68.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -76.68 -30.61 56.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 54' ' ' GLU . 69.5 p -77.75 -31.73 52.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.3 mtp -56.34 169.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.8 t -113.6 152.33 30.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -43.39 -31.09 1.44 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -67.76 -48.4 66.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.706 0.289 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -71.11 -29.0 64.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 66.3 mttt -72.61 -44.17 62.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' LYS . 69.6 m -35.52 -43.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -42.38 -49.83 5.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -91.89 -31.44 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -51.99 -38.78 57.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.46 -44.22 52.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 60.3 mtm -57.82 -47.41 82.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.14 -52.22 65.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.446 ' O ' HG23 ' A' ' 76' ' ' VAL . 23.4 mmtm -43.7 -42.8 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.48 -42.26 62.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.055 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -56.67 -43.83 80.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -62.53 -31.41 72.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 72' ' ' LYS . 95.1 t -77.71 -54.9 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.421 ' HD3' ' C ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -49.52 -35.23 19.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 28.3 t80 -68.43 -55.74 10.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -41.73 -46.76 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 10.3 mtp-105 -63.03 -42.38 99.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -60.82 -38.61 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.6 mmt -63.8 -34.33 77.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -54.08 -55.02 31.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.49 -46.2 73.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -50.72 -59.98 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -76.21 134.31 39.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.0 mtm -124.36 165.35 17.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.8 m -108.27 158.66 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . . . -40.78 -41.69 1.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -57.3 -56.85 16.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.35 -59.28 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -38.69 -49.09 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -55.29 -46.99 76.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.432 HG13 ' HE1' ' A' ' 48' ' ' PHE . 95.9 t -66.76 -49.11 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -51.92 65.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 90.7 m -54.85 -43.89 73.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.7 m -60.75 -37.06 80.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.53 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 8.1 mtp-105 -63.03 -48.95 76.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -57.02 -42.46 80.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.56 -39.91 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.412 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 11.8 t60 -64.64 -64.54 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -51.42 -40.22 58.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -51.43 -37.19 47.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 1.2 mptm? -94.52 -58.8 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -108.07 70.53 0.34 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.665 0.745 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.448 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.2 Cg_endo -69.81 -25.83 27.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG3' HG23 ' A' ' 41' ' ' VAL . 9.0 pt-20 -77.98 -29.48 49.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.615 HG13 ' HD2' ' A' ' 42' ' ' PRO . 91.3 t -88.84 137.53 29.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.615 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.72 170.07 17.4 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 43' ' ' VAL . 6.6 p -131.55 92.29 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -53.73 85.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' VAL . 9.9 t80 -38.35 -48.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.03 -47.63 16.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -81.69 -55.19 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.53 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 16.7 t80 -40.92 -38.01 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.76 -46.46 53.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.94 -33.08 10.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -83.12 -31.22 27.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 55' ' ' ARG . 56.1 m -84.57 -65.1 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . 18.9 p -36.72 -49.09 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.64 -38.47 91.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 52' ' ' CYS . 10.5 mtp180 -68.38 -18.31 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -78.29 -40.36 37.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -75.74 -33.33 60.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.2 p -79.35 -5.12 53.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.5 mtp -82.52 156.32 24.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 73.3 m -93.78 162.24 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.39 -35.75 36.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -65.69 -52.05 54.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.14 -39.61 69.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -72.0 -32.41 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 68' ' ' ASP . 19.3 t -40.99 -54.21 2.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 67' ' ' PHE . 16.5 ptmt -43.52 -44.77 6.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.412 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 63.4 m-85 -84.87 -18.59 34.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.423 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 16.0 t0 -68.18 -48.58 64.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -62.99 -38.62 91.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.0 mtm -65.13 -47.91 75.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.33 70.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -48.15 -50.33 29.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.3 -51.99 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.055 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -42.86 -41.41 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -60.84 -43.25 98.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.8 t -70.85 -56.0 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.44 ' O ' ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -47.81 -36.2 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.503 ' CE2' ' HG3' ' A' ' 82' ' ' MET . 24.0 t80 -73.51 -49.29 27.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.25 -47.23 18.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -74.77 -53.89 8.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.465 ' CA ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -45.92 -40.08 9.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.503 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 87.6 mmm -75.82 -27.35 57.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -69.35 -26.54 64.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -92.2 -34.88 14.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -64.88 -47.95 75.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -77.98 141.6 38.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.445 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 6.6 mtm -98.2 163.06 12.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 24' ' ' ALA . 49.1 m -104.77 150.53 24.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' CA ' ' HB2' ' A' ' 71' ' ' ALA . . . -36.11 -45.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -56.35 -44.19 79.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 21' ' ' SER . . . -56.77 -54.47 45.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -45.08 -40.37 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.71 -43.28 99.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -66.97 -46.51 84.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -56.37 -41.9 76.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.7 m -64.23 -53.09 54.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.5 t -51.77 -38.68 56.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -63.13 -55.12 27.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -35.4 61.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -64.43 -41.73 96.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -62.01 -44.86 95.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -66.13 -39.24 89.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -48.8 -35.0 13.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 5.3 mptp? -96.94 -54.81 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -109.61 70.06 0.48 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.632 0.729 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.411 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.6 Cg_endo -69.71 -15.14 37.11 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.272 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.02 32.9 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 42' ' ' PRO . 99.4 t -134.37 138.96 31.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.596 0.712 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.82 153.51 68.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.292 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.581 ' O ' HG13 ' A' ' 43' ' ' VAL . 6.0 p -132.17 93.88 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' PHE . 14.7 m-20 -52.52 86.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' VAL . 7.2 t80 -34.44 -46.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.41 -59.65 3.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.067 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -65.99 -53.41 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.59 ' CE2' ' SG ' ' A' ' 52' ' ' CYS . 70.3 t80 -44.24 -64.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.65 -46.55 7.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -49.13 -37.15 21.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -77.69 -28.64 51.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.59 ' SG ' ' CE2' ' A' ' 48' ' ' PHE . 4.4 m -80.79 -65.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.1 p -44.68 -51.44 9.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.881 ' O ' HG23 ' A' ' 58' ' ' THR . 11.5 mt-10 -57.13 -30.99 64.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -78.53 -25.7 45.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -66.4 -47.49 73.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -68.78 -33.47 73.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.881 HG23 ' O ' ' A' ' 54' ' ' GLU . 33.0 p -73.04 -32.57 65.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.4 mtp -58.79 160.5 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.8 m -109.99 157.45 19.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -45.88 -33.98 5.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 10.7 ptpp? -63.37 -44.08 95.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 37.9 mm-40 -78.74 -31.35 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' SER . 60.7 mttt -71.03 -40.47 71.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 64' ' ' LYS . 13.9 m -35.7 -45.51 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -43.55 -47.98 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -90.26 -28.6 18.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -52.23 -42.94 64.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -66.74 -52.22 46.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.0 mtm -51.87 -38.25 55.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.416 ' HB2' ' CA ' ' A' ' 22' ' ' ALA . . . -67.89 -47.71 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -42.66 -35.29 1.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.02 -35.76 16.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.1 OUTLIER -45.12 -43.03 9.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 17.7 ttpt -69.32 -45.04 70.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.469 HG13 ' HD3' ' A' ' 80' ' ' ARG . 86.1 t -58.53 -44.4 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -55.59 -61.11 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 81' ' ' GLU . 34.4 t80 -64.07 -57.78 8.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' TYR . 27.4 t70 -36.62 -59.87 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.469 ' HD3' HG13 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -59.41 -33.35 71.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 78' ' ' TYR . 21.2 mm-40 -70.19 -29.76 66.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.2 mmt -72.74 -29.81 63.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -61.94 -41.39 97.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.78 -45.56 57.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -63.38 -59.2 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.504 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -73.56 141.8 46.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.779 0.323 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.442 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 5.9 mtm -111.97 155.77 23.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.7 m -98.55 156.95 16.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.03 -40.44 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -63.58 -53.69 47.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.25 -52.25 59.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 15.8 m-85 -47.9 -42.06 26.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -60.05 -37.56 80.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -69.7 -48.47 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -61.71 -44.08 97.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.2 m -60.58 -58.4 8.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.09 -43.26 30.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 23.5 mtp180 -58.52 -54.31 48.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -55.49 -36.64 66.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -72.2 -39.98 68.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.425 ' NE2' ' HB ' ' A' ' 43' ' ' VAL . 12.7 t60 -55.72 -39.5 71.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -72.39 -40.6 67.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.19 -36.51 52.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -95.21 -53.84 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -110.76 67.11 0.53 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.5 Cg_endo -69.72 -18.15 37.34 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -108.8 26.48 10.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.42 HG13 ' HD2' ' A' ' 42' ' ' PRO . 44.1 t -126.39 132.88 24.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.8 139.3 39.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 43' ' ' VAL . 7.3 p -118.21 99.05 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 45' ' ' PHE . 79.2 m-20 -64.13 87.98 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 44' ' ' ASN . 6.9 t80 -36.26 -46.43 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.89 -46.88 43.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 44' ' ' ASN . 8.0 mt-10 -79.25 -58.3 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.46 ' O ' ' CG ' ' A' ' 51' ' ' LYS . 43.3 t80 -42.75 -43.8 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -51.94 50.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -45.87 -32.83 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -88.69 -29.11 20.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 53' ' ' SER . 1.4 p -59.07 -44.81 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.495 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 4.4 t -68.99 -53.85 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 58' ' ' THR . 4.9 mm-40 -59.17 -24.84 63.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -80.05 -33.02 39.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.511 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 69.6 t-105 -63.12 -47.86 80.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -62.28 -31.32 71.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 54' ' ' GLU . 80.9 p -77.59 -29.62 52.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 67.1 mtp -62.52 149.03 44.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -103.92 161.86 13.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.09 -37.2 10.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -58.81 -31.38 68.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -91.64 -47.02 7.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 75.3 mttt -56.75 -35.99 69.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -34.86 -60.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -38.7 -50.02 1.61 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -90.0 -10.55 44.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' SER . 4.9 t70 -72.91 -36.96 67.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -79.64 -43.06 23.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 67.4 mtm -58.36 -46.13 86.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.7 68.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.613 ' O ' HG23 ' A' ' 76' ' ' VAL . 39.6 mmtt -51.98 -39.0 58.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.9 -41.59 22.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.09 -42.05 80.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -66.41 -44.5 82.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 72' ' ' LYS . 94.0 t -62.7 -50.71 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 3.9 tmm_? -51.39 -45.33 62.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -64.07 -49.57 71.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.51 -46.47 70.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -64.56 -45.62 86.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -62.93 -36.54 83.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.4 mmt -62.88 -31.77 72.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -61.42 -51.44 68.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.51 -42.78 61.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -56.79 -61.85 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.472 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 8.5 mtmp? -70.85 134.41 47.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.726 0.298 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.553 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 8.6 mtm -123.48 159.25 29.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' ALA . 5.6 m -105.53 158.71 16.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -36.13 -48.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.465 ' O ' HG23 ' A' ' 27' ' ' VAL . 18.5 t80 -57.12 -44.88 83.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.553 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -59.34 -50.93 72.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -50.53 -50.82 52.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.452 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 45.9 t80 -51.86 -35.38 44.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 23' ' ' TYR . 59.0 t -67.3 -55.47 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -50.99 -47.99 61.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.2 m -58.85 -62.15 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.452 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 30.9 m -44.21 -32.12 1.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.541 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 38.4 mtp180 -71.89 -47.92 49.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -55.75 -38.66 70.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.86 -38.38 90.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.572 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 11.6 t60 -67.32 -37.27 83.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -78.4 -28.06 46.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -64.83 -31.78 73.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -100.71 -49.08 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -117.0 68.16 4.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -26.33 27.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.657 2.238 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -76.57 -34.78 58.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.415 HG13 ' HD2' ' A' ' 42' ' ' PRO . 97.6 t -81.32 132.31 56.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.638 0.732 . . . . 0.0 111.184 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.415 ' HD2' HG13 ' A' ' 41' ' ' VAL . 54.2 Cg_endo -69.72 156.38 63.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.394 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.572 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 3.4 p -116.69 107.17 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -65.95 85.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -39.91 -49.99 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.47 -48.97 10.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' SER . 23.2 mm-40 -82.87 -57.9 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.541 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 3.2 t80 -39.44 -28.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -78.75 -45.88 20.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.1 tmmt? -49.32 -28.75 5.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -22.19 24.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.496 ' SG ' ' N ' ' A' ' 53' ' ' SER . 1.3 p -68.79 -44.55 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.496 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 3.2 t -61.21 -54.46 44.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.601 ' O ' HG23 ' A' ' 58' ' ' THR . 12.2 mm-40 -57.87 -32.18 67.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 mtp85 -75.13 -25.81 58.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.405 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 75.9 t-105 -78.13 -47.29 18.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -66.27 -36.13 82.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 54' ' ' GLU . 74.2 p -75.83 -23.72 55.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 26.4 mtp -69.73 148.52 49.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.6 t -91.87 164.81 13.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.1 -26.62 12.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -49.49 47.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.73 0.3 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -67.49 -19.51 65.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 65' ' ' SER . 70.5 mttt -89.47 -43.18 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' LYS . 55.5 m -37.64 -49.57 1.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -41.41 -48.89 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -86.02 -23.15 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -59.69 -36.72 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -78.96 -32.27 45.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.0 mtm -70.77 -33.93 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.56 87.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -64.36 -43.52 94.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.99 -28.09 68.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -70.59 -24.87 62.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -83.42 -45.33 13.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.03 -33.66 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -73.25 -48.0 38.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.446 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 19.5 t80 -67.02 -41.02 87.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.35 -54.0 30.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -64.36 -56.39 14.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.463 ' CA ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -50.97 -17.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.409 ' CG ' ' CE1' ' A' ' 78' ' ' TYR . 10.7 mmt -86.98 -38.23 16.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -74.46 -15.41 60.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -98.5 -27.11 14.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -83.91 -42.62 16.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -62.32 115.0 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 45.1 mtp -92.11 137.73 32.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.9 m -93.25 154.15 18.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.62 -42.22 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -55.69 -48.32 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.08 -58.79 6.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.062 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -40.34 -42.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.85 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.59 HG13 ' HE1' ' A' ' 48' ' ' PHE . 91.2 t -64.58 -50.32 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -57.64 -48.15 80.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.1 m -56.23 -59.59 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 t -50.38 -38.08 40.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.538 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 54.7 mtm180 -61.79 -52.31 64.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -56.89 -44.7 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.49 -37.49 81.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -61.21 -47.08 87.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 30.5 tttt -71.34 -56.47 5.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' LYS . 16.9 mmmt -35.2 -36.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' LYS . 52.9 mttm -94.77 -60.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -108.18 73.26 0.44 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.643 0.735 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.5 Cg_endo -69.79 -31.63 20.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HG3' HG23 ' A' ' 41' ' ' VAL . 11.8 pt-20 -68.85 -39.18 80.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.438 HG23 ' HG3' ' A' ' 40' ' ' GLU . 95.9 t -82.61 123.39 78.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -179.67 3.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.284 . . . . 0.0 112.358 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 43' ' ' VAL . 3.5 p -141.31 105.0 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' PHE . 8.5 t30 -58.43 81.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 43' ' ' VAL . 17.0 t80 -36.78 -54.61 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -38.89 -44.34 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' SER . 8.8 mt-10 -88.28 -58.81 2.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.59 ' HE1' HG13 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -41.2 -26.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -77.55 -44.96 26.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.822 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 47' ' ' GLU . 2.4 tppp? -59.27 -34.38 72.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -21.73 43.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.521 ' HB3' HG22 ' A' ' 27' ' ' VAL . 2.1 m -84.19 -55.09 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 76.1 p -50.49 -46.96 57.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.72 ' O ' HG23 ' A' ' 58' ' ' THR . 17.2 mt-10 -65.81 -37.78 87.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -65.6 -23.63 66.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -70.76 -47.0 61.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -69.61 -34.9 74.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 54' ' ' GLU . 39.1 p -70.69 -27.08 63.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.3 mtp -61.44 163.98 6.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -107.21 152.99 23.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -36.77 -44.16 0.9 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -61.49 -55.02 35.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.322 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.23 -29.48 61.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' SER . 72.8 mttt -77.87 -39.94 41.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.438 ' HA ' ' CB ' ' A' ' 68' ' ' ASP . 14.7 m -34.99 -51.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.558 ' HD2' ' CZ ' ' A' ' 67' ' ' PHE . 1.5 tmtp? -39.68 -50.77 2.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.558 ' CZ ' ' HD2' ' A' ' 66' ' ' LYS . 33.2 m-85 -92.24 -14.47 28.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.438 ' CB ' ' HA ' ' A' ' 65' ' ' SER . 9.1 t0 -66.55 -38.59 87.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -81.49 -25.02 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.494 ' HE1' ' HE2' ' A' ' 66' ' ' LYS . 49.1 mtm -78.97 -27.07 43.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.26 -31.21 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -66.3 -36.06 81.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.88 -39.95 25.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -38.98 -42.57 0.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -56.12 -46.18 79.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.49 -52.53 60.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.3 tmm_? -53.12 -48.32 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -59.05 -48.14 82.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -48.89 -44.53 40.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.807 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -67.13 -33.83 76.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.86 -34.8 72.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.9 mmt -64.65 -31.41 72.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -64.86 -55.2 20.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.89 -49.25 78.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -56.85 -52.11 66.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -61.0 125.7 24.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 71.8 mtp -106.36 157.12 17.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 m -112.81 156.11 23.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.66 -52.69 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -50.18 -51.49 43.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' PHE . . . -51.64 -63.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' ALA . 45.6 m-85 -38.22 -48.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.63 -44.96 73.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 24' ' ' ALA . 95.6 t -65.95 -42.43 91.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -61.7 -52.83 62.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.6 m -47.18 -57.75 4.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.0 m -50.04 -47.23 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 40.6 mtp180 -52.81 -51.09 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -62.69 -42.98 99.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -57.7 -20.09 31.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -90.56 -46.65 8.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -68.27 -51.63 42.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -39.52 -37.69 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.428 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 9.6 mmtm -94.94 -58.48 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -107.47 72.21 0.34 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.428 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.4 Cg_endo -69.69 -28.38 25.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.361 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.466 ' HG3' HG23 ' A' ' 41' ' ' VAL . 13.9 pt-20 -73.33 -34.79 65.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.466 HG23 ' HG3' ' A' ' 40' ' ' GLU . 90.3 t -86.16 123.47 71.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.729 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 175.82 7.56 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -132.63 118.45 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' PHE . 4.4 m120 -66.86 77.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' ASN . 14.1 t80 -34.88 -50.09 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.97 -48.54 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -85.14 -52.75 5.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 20.1 t80 -45.02 -25.54 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -82.57 -43.4 17.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -56.18 -26.65 51.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -33.46 15.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.3 m -69.62 -57.94 4.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.7 t -53.37 -54.76 32.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.872 ' O ' HG23 ' A' ' 58' ' ' THR . 35.2 mm-40 -55.26 -26.6 40.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -79.75 -28.5 40.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -65.25 -49.5 69.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -65.14 -30.02 70.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.872 HG23 ' O ' ' A' ' 54' ' ' GLU . 60.2 p -73.56 -35.5 65.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.1 mtm -63.3 149.02 46.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.2 p -96.69 160.29 14.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.01 -38.98 2.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -55.2 -39.03 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -80.36 -54.31 5.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 65' ' ' SER . 69.3 mttt -51.4 -42.13 61.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -34.95 -53.12 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.432 ' HD3' ' CE ' ' A' ' 70' ' ' MET . 0.6 OUTLIER -40.75 -47.15 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -88.11 -24.23 23.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -55.84 -37.9 69.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -75.26 -45.08 42.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.432 ' CE ' ' HD3' ' A' ' 66' ' ' LYS . 20.2 mtm -53.78 -52.83 59.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.18 79.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.074 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -46.75 -46.54 20.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -74.51 -45.06 48.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -41.82 -24.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ALA . 6.7 ttpm? -77.21 -53.94 7.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 p -64.26 -29.31 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -72.37 -45.42 59.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -71.43 -47.1 58.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -45.03 -57.28 3.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.9 mtm105 -53.16 -48.37 68.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -53.22 -36.84 61.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.8 mmt -67.75 -29.35 68.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -69.79 -50.03 47.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.84 -45.95 73.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -53.32 -54.15 40.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -91.07 121.55 32.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.4 mtp -72.58 137.62 46.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.5 m -94.34 157.74 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.24 -43.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -58.06 -59.89 4.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.38 -47.44 13.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.065 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -51.07 -43.5 61.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 34.2 t80 -60.52 -36.58 78.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.5 t -72.29 -39.34 63.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -66.33 -48.52 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.1 m -56.54 -58.48 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.0 m -48.08 -42.23 28.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.588 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 9.5 mtp-105 -58.74 -55.35 36.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -52.47 -41.33 63.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -59.9 -40.79 89.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.5 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 10.8 t60 -59.09 -52.43 65.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' LYS . 23.4 tttt -64.28 -52.08 60.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' LYS . 32.0 mtpt -37.87 -32.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.454 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 9.6 mptt -98.65 -59.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -108.6 74.43 0.54 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -30.54 22.37 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.375 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.75 -29.75 58.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.3 t -87.3 126.28 62.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 155.63 65.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.5 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 2.4 p -111.2 109.87 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' PHE . 10.0 t-20 -64.76 79.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' ASN . 19.1 t80 -37.89 -56.44 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . -37.12 -44.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 49' ' ' SER . 10.8 mm-40 -88.12 -55.46 3.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 7.8 t80 -41.93 -25.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.8 t -81.51 -42.47 20.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -60.1 -28.94 68.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -26.47 25.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.4 ' SG ' ' CE1' ' A' ' 48' ' ' PHE . 36.3 m -77.41 -51.38 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.7 p -51.45 -50.53 59.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 58' ' ' THR . 4.7 mm-40 -61.66 -35.85 79.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -73.38 -14.49 61.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.475 ' CZ2' ' HD3' ' A' ' 64' ' ' LYS . 72.6 t-105 -85.23 -51.49 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -64.38 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 54' ' ' GLU . 74.9 p -72.97 -34.71 66.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.5 mtp -55.48 169.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 63' ' ' GLU . 2.8 m -118.64 143.74 46.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -34.57 -36.0 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' SER . 62.5 tttt -63.12 -46.35 87.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' SER . 29.8 mm-40 -71.53 -36.23 70.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.475 ' HD3' ' CZ2' ' A' ' 56' ' ' TRP . 37.0 mttp -68.0 -28.74 67.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 m -41.37 -43.5 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.423 ' CG ' ' N ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -52.53 -45.2 66.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.423 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 78.6 m-85 -82.42 -17.75 44.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -71.06 -44.35 65.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -66.43 -45.41 79.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.0 mtm -59.06 -42.94 91.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.02 95.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -46.67 -48.49 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.43 94.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -45.94 -44.71 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -61.44 -47.65 84.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.5 t -53.67 -48.66 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 78' ' ' TYR . 5.3 tmm_? -47.31 -53.89 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.434 ' N ' ' HD2' ' A' ' 77' ' ' ARG . 1.4 t80 -52.23 -53.76 39.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -49.62 -57.23 7.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -51.87 -45.23 64.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.89 -29.87 69.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.5 mmt -78.14 -27.0 48.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -62.31 -37.28 84.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.38 -36.56 19.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -68.58 -55.57 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.453 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -77.53 141.55 39.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 63.1 mtp -90.12 138.68 31.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' ALA . 64.1 m -96.88 156.09 16.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.555 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . . . -33.66 -50.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -55.81 -51.02 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.25 -57.06 9.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -46.98 -42.38 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.468 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 45.9 t80 -62.3 -44.26 96.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.406 HG12 ' HE ' ' A' ' 31' ' ' ARG . 73.1 t -66.02 -52.22 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.168 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -55.62 -44.28 76.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -52.36 -55.95 18.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.8 m -57.05 -34.36 68.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 45.7 mtm180 -66.0 -47.92 72.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -65.13 -41.28 94.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -62.52 -39.71 94.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -63.14 -46.08 88.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -68.08 -33.61 74.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -58.78 -32.32 69.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 1.0 OUTLIER -96.62 -53.17 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.609 ' CB ' HG12 ' A' ' 41' ' ' VAL . 15.0 m-20 -110.93 68.35 0.59 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.588 0.709 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.75 -9.76 26.9 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.674 2.25 . . . . 0.0 112.36 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.59 -25.04 15.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.609 HG12 ' CB ' ' A' ' 38' ' ' ASN . 1.8 p -90.88 136.36 27.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.578 0.704 . . . . 0.0 111.162 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.458 ' HD2' ' CG2' ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.8 174.59 9.33 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 43' ' ' VAL . 4.5 p -140.51 106.31 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' PHE . 7.2 m-20 -69.16 87.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' ASN . 13.7 t80 -37.31 -53.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.47 -55.15 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -74.52 -56.39 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 10.3 t80 -42.38 -32.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.93 -40.37 60.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -32.58 61.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 4.3 pttt -81.29 -31.4 33.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.473 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 60.3 m -76.48 -59.99 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.0 p -45.54 -44.29 12.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.929 ' O ' HG23 ' A' ' 58' ' ' THR . 20.5 mt-10 -69.2 -40.0 78.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -61.21 -32.12 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.425 ' NE1' ' HE2' ' A' ' 64' ' ' LYS . 73.7 t-105 -71.08 -59.71 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -53.73 -29.3 38.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.929 HG23 ' O ' ' A' ' 54' ' ' GLU . 63.4 p -73.45 -24.67 60.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.401 ' SD ' ' HB3' ' A' ' 63' ' ' GLU . 9.1 mmm -48.53 178.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -122.66 30.64 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.42 -64.9 1.37 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -52.07 -21.95 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.401 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 38.6 mm-40 -85.97 -32.85 21.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 65' ' ' SER . 92.5 mttt -61.72 -37.91 85.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.1 m -35.62 -51.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 65' ' ' SER . 12.5 tttt -37.47 -47.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 40.4 m-85 -92.63 -28.49 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.555 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 4.0 t70 -56.85 -38.39 72.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.74 -50.64 28.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 30.9 mtm -51.49 -34.56 36.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.04 -45.51 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -46.93 17.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.8 -54.64 24.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -46.96 -41.26 15.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.32 -45.8 92.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.5 t -56.2 -40.18 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -63.39 -53.43 52.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.542 ' CZ ' ' SD ' ' A' ' 82' ' ' MET . 44.8 t80 -59.05 -35.5 73.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.05 -58.13 9.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -63.12 -33.4 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.89 -45.23 94.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.542 ' SD ' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -57.92 -36.63 72.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -61.34 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -60.8 -46.05 92.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -62.28 -68.57 0.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -84.09 136.37 34.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.769 0.318 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.486 ' SD ' ' HB1' ' A' ' 24' ' ' ALA . 14.6 mmm -104.88 147.33 27.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -108.4 159.37 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.5 -44.08 35.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.046 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.467 ' HB2' ' NE1' ' A' ' 56' ' ' TRP . 3.5 t80 -56.65 -46.91 80.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -55.3 -59.64 4.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -39.71 -50.19 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -53.21 -41.96 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.6 -51.47 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -52.21 -45.99 65.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -55.34 -52.74 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.5 m -55.78 -37.63 68.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.55 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 18.7 mtp180 -62.35 -53.51 53.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -54.44 -36.58 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -69.05 -33.42 73.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.474 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 11.7 t60 -67.56 -45.3 76.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 35' ' ' LYS . 9.1 tmtt? -70.12 -38.71 75.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -52.92 -26.53 15.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -104.27 -55.56 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.11 73.91 2.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -35.77 12.0 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.2 -33.0 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.44 HG13 ' HD2' ' A' ' 42' ' ' PRO . 77.8 t -82.89 133.4 48.73 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.646 0.736 . . . . 0.0 111.151 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.44 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.73 171.32 14.65 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.709 2.273 . . . . 0.0 112.309 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 43' ' ' VAL . 7.2 p -128.61 101.69 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLU . 27.3 m-20 -60.69 82.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' ASN . 15.2 t80 -35.01 -53.31 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.85 -44.32 14.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' LYS . 7.8 mt-10 -85.04 -59.45 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.55 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 12.1 t80 -38.22 -35.95 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -71.04 -43.56 67.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.5 tppp? -47.51 -35.93 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -82.79 -29.29 29.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 18.1 m -90.01 -66.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 49' ' ' SER . 99.2 p -38.93 -54.45 1.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -57.69 -38.87 75.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' CYS . 37.3 mtt180 -67.04 -17.4 64.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.467 ' NE1' ' HB2' ' A' ' 23' ' ' TYR . 73.4 t-105 -80.6 -55.45 4.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -57.26 -28.95 63.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.934 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.6 p -78.17 -31.4 49.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.3 mtp -61.31 156.59 18.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 m -108.0 157.64 18.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -45.11 -40.82 7.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -57.54 -47.39 82.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -70.53 -51.05 31.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -55.65 -19.81 11.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.7 p -47.86 -48.54 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.485 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 19.1 ptmt -46.77 -44.42 19.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.485 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 85.1 m-85 -85.23 -9.98 57.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -74.86 -52.84 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.94 -39.34 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.4 mtm -61.63 -53.01 61.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.02 -41.84 68.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -47.11 -47.11 23.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.94 -40.21 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.04 -32.71 35.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -66.67 -35.96 81.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.83 -48.75 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -58.74 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.526 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 68.8 t80 -48.97 -47.29 44.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.91 -44.99 87.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -64.32 -40.48 95.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.56 -37.27 82.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.1 mmt -62.27 -29.6 70.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -65.98 -53.65 36.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.74 -46.44 72.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -56.84 -47.64 79.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.582 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 16.2 mttp -78.4 133.79 37.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 56.4 mtp -117.95 151.78 36.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 m -98.54 153.07 18.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.63 -39.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -63.71 -55.41 23.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.65 -51.74 20.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -46.19 -44.08 15.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -61.2 -48.49 81.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.5 -42.81 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -65.68 -46.92 77.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.7 m -57.36 -53.39 58.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.4 m -54.93 -36.76 65.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.591 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 10.2 mtp-105 -65.06 -54.21 33.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -50.73 -35.6 32.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -68.16 -39.79 82.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.536 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 10.2 t60 -62.24 -50.24 72.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -65.81 -59.05 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' LYS . 40.0 mtpt -34.84 -33.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' LYS . 37.7 mmtt -94.88 -61.81 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -107.79 76.82 0.59 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -32.08 19.26 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.14 -31.88 64.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.2 t -86.3 122.25 72.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 165.5 30.81 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.536 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 3.6 p -121.69 107.59 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' PHE . 1.9 m-20 -60.45 76.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 43' ' ' VAL . 10.5 t80 -35.53 -56.04 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -39.26 -46.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.058 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' SER . 6.1 mt-10 -86.54 -57.46 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.591 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 14.0 t80 -41.04 -24.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.1 t -81.64 -41.98 20.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -57.85 -27.05 62.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -32.99 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.0 m -71.27 -48.64 49.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 p -54.09 -56.52 17.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 58' ' ' THR . 72.8 mt-10 -53.18 -41.62 65.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -61.9 -25.96 67.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -71.56 -45.19 62.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -72.31 -30.13 64.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 54' ' ' GLU . 68.5 p -76.63 -30.25 56.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtp -59.49 167.27 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 61' ' ' GLY . 2.6 t -116.77 150.01 38.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -34.35 -37.45 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 60' ' ' SER . 12.4 mmtp -60.55 -57.27 13.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.713 0.292 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -63.13 -35.36 80.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 65' ' ' SER . 54.6 mttt -67.36 -43.53 81.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 64' ' ' LYS . 2.7 t -35.04 -46.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -40.16 -49.73 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -92.6 -28.97 16.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.58 -27.41 26.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -86.08 -40.32 15.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 26.7 mtm -61.34 -45.83 92.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.1 98.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -52.24 -35.1 48.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -86.01 -42.57 13.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -36.87 -29.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 73' ' ' ALA . 9.0 ttpt -71.76 -52.45 17.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 p -66.4 -36.83 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -63.75 -56.89 12.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.582 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 21.4 t80 -62.04 -49.01 77.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -53.93 -50.48 66.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -61.74 -16.74 51.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -95.26 -31.11 13.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 79.4 mmm -80.94 -27.63 36.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -68.52 -26.25 65.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -97.03 -27.73 14.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -75.03 -43.84 51.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HB3' ' CG ' ' A' ' 78' ' ' TYR . 11.3 pttm -110.7 124.32 51.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.528 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 4.9 mtp -83.56 154.91 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.57 178.62 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' HB1' ' HH2' ' A' ' 56' ' ' TRP . . . -49.75 -38.85 35.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -67.43 -50.91 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.528 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -57.2 -53.06 62.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -48.08 -41.12 25.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -63.07 -52.01 64.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.2 -46.18 84.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -60.14 -63.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.8 m -41.75 -44.58 3.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.45 -48.57 79.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.489 ' NH2' ' CD1' ' A' ' 45' ' ' PHE . 16.1 mtt180 -52.6 -49.18 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -61.15 -43.29 99.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -62.58 -16.76 57.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.421 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 5.3 t60 -90.14 -49.53 6.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -67.87 -54.35 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -38.74 -35.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.449 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 11.4 mtmm -93.03 -56.78 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -108.97 69.15 0.38 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.449 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.7 Cg_endo -69.74 -14.47 36.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.643 2.229 . . . . 0.0 112.355 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -89.35 -22.8 22.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -95.94 130.72 30.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 173.53 10.81 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.659 2.24 . . . . 0.0 112.368 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' PHE . 2.7 p -134.55 97.87 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -54.36 83.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' VAL . 12.0 t80 -40.01 -55.35 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.5 -42.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -89.19 -61.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 5.1 t80 -39.16 -32.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -47.01 27.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -56.75 -34.2 67.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -80.3 -32.68 38.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 2.5 m -66.99 -43.15 83.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -60.53 -60.06 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 58' ' ' THR . 19.6 mt-10 -51.43 -31.89 24.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.9 mtt-85 -71.39 -28.38 63.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.417 ' HH2' ' HB1' ' A' ' 22' ' ' ALA . 76.8 t-105 -69.65 -46.69 65.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -66.4 -30.91 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 54' ' ' GLU . 80.3 p -77.13 -30.3 55.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.9 mtp -56.18 158.1 4.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -104.12 152.01 22.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.56 -30.75 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -57.47 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -58.79 -28.13 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 65' ' ' SER . 67.6 mttt -77.38 -43.53 32.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 64' ' ' LYS . 31.5 t -35.11 -49.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -37.45 -51.01 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -90.2 -41.21 11.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -41.85 -30.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -88.67 -41.48 12.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.5 mtm -61.67 -22.36 65.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.13 -50.02 17.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.87 -39.7 40.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.63 -53.65 12.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -46.96 -41.7 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -55.84 -45.99 78.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.617 HG12 ' NE ' ' A' ' 80' ' ' ARG . 65.8 t -51.33 -61.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.441 ' HD2' ' CD ' ' A' ' 81' ' ' GLU . 9.1 tpp180 -45.95 -61.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.55 ' CZ ' ' SD ' ' A' ' 82' ' ' MET . 23.4 t80 -50.09 -56.53 10.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.413 ' C ' ' OD1' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -39.63 -60.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.617 ' NE ' HG12 ' A' ' 76' ' ' VAL . 1.2 mpp_? -57.0 -41.43 78.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.441 ' CD ' ' HD2' ' A' ' 77' ' ' ARG . 30.7 mt-10 -59.6 -38.82 82.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.55 ' SD ' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -65.35 -32.11 73.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -71.81 -41.23 68.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.36 -43.13 52.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -73.51 -55.42 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.514 ' HA2' ' CZ ' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 8.3 mtmp? -114.24 134.79 54.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.6 mtp -85.6 136.31 33.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 m -99.83 152.54 20.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.65 -46.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -50.02 -57.92 6.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.37 -57.27 4.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.092 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 70' ' ' MET . 26.3 m-85 -40.93 -48.86 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -54.48 -43.11 71.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.94 -52.68 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -55.95 -61.04 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 m -49.39 -50.34 40.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.5 m -53.54 -40.8 65.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -61.45 -52.68 63.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -29.85 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -69.76 -45.19 68.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -62.33 -43.55 98.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -73.08 -43.61 61.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.41 -30.55 8.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -99.32 -47.54 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.571 ' CB ' HG12 ' A' ' 41' ' ' VAL . 18.8 m-20 -115.07 66.38 1.96 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.642 0.734 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -5.58 16.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -102.51 -21.65 14.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.571 HG12 ' CB ' ' A' ' 38' ' ' ASN . 1.8 p -93.7 136.73 23.68 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.476 ' HD2' HG22 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.78 171.19 14.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.366 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 45' ' ' PHE . 2.2 p -141.59 106.33 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' PHE . 2.8 m120 -59.64 79.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' VAL . 29.5 t80 -35.51 -53.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.42 -44.71 17.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' ASN . 3.3 mm-40 -80.92 -58.28 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 5.7 t80 -41.06 -31.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 t -79.06 -43.13 24.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -29.42 64.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -83.27 -31.64 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.875 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' ARG . 2.0 m -65.26 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 55.2 p -43.24 -44.27 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.564 ' O ' HG23 ' A' ' 58' ' ' THR . 5.6 mm-40 -67.86 -29.35 68.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' CYS . 26.4 mtp85 -82.54 -19.64 38.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -76.18 -55.63 5.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -31.41 68.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 54' ' ' GLU . 69.1 p -76.48 -31.57 57.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mtp -55.64 164.14 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -105.67 149.3 26.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -38.81 -39.98 0.97 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -61.63 -49.26 77.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -59.74 -36.99 77.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -74.4 -32.72 62.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -39.82 -57.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 14.6 ptmt -46.17 -41.5 12.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.43 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 78.7 m-85 -83.3 -17.95 40.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -67.97 -53.63 24.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.91 -43.74 91.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.495 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 75.2 mtm -57.64 -45.35 85.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.471 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . . . -61.85 -41.53 97.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.534 ' O ' HG23 ' A' ' 76' ' ' VAL . 9.3 mtpm? -49.5 -44.76 46.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.33 -43.77 89.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.42 -21.2 66.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.97 -28.48 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.9 t -84.65 -41.78 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -30.29 66.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.541 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 70.1 t80 -76.88 -52.72 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -47.82 -40.61 21.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -75.1 -51.04 14.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -48.17 -38.4 18.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.9 mmt -66.96 -36.22 81.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -62.62 -40.57 97.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -81.29 -40.54 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -65.5 -55.67 16.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.443 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -65.81 136.88 56.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.42 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 12.4 mtm -112.55 161.07 17.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ALA . 35.2 m -99.67 150.96 21.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -34.2 -41.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.441 ' HB2' ' NE1' ' A' ' 56' ' ' TRP . 4.4 t80 -58.32 -63.05 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -39.7 -58.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -41.15 -53.17 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -50.81 -48.66 59.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.11 -54.13 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -54.88 20.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.0 m -48.12 -49.04 33.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.0 m -55.01 -48.2 73.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.544 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 9.3 mtp-105 -54.61 -49.23 70.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -59.84 -42.36 93.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -58.25 -23.95 57.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -85.48 -57.12 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' CD ' ' HA ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -54.85 -45.61 74.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -44.41 -38.03 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 23.9 mtpt -93.05 -58.3 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.436 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 3.6 m-80 -108.68 69.62 0.37 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.583 0.706 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.492 ' HA ' ' CD ' ' A' ' 35' ' ' LYS . 53.6 Cg_endo -69.74 -9.16 25.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -113.48 29.44 7.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 42' ' ' PRO . 99.5 t -128.89 138.85 34.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.729 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.69 143.36 50.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.642 ' O ' HG13 ' A' ' 43' ' ' VAL . 7.4 p -131.58 91.58 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' PHE . 2.7 m-20 -54.5 84.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 43' ' ' VAL . 30.5 t80 -35.94 -48.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.47 -52.72 12.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -75.55 -48.67 21.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CD2' ' HE3' ' A' ' 51' ' ' LYS . 4.4 t80 -52.19 -29.11 20.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t -76.79 -45.49 28.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.34 -31.88 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.584 ' HE3' ' CD2' ' A' ' 48' ' ' PHE . 12.2 pttt -83.4 -32.46 26.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 69.5 m -79.5 -62.99 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.7 p -41.43 -53.75 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.634 ' O ' HG23 ' A' ' 58' ' ' THR . 7.1 mm-40 -59.36 -35.04 73.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -71.88 -15.26 62.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.441 ' NE1' ' HB2' ' A' ' 23' ' ' TYR . 70.3 t-105 -78.41 -37.46 43.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -33.06 54.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 54' ' ' GLU . 33.9 p -72.1 -33.41 67.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.2 mtp -54.33 168.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' GLY . 3.1 m -116.81 148.3 41.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -36.28 -37.91 0.22 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.497 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -60.24 -60.48 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.299 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -60.27 -34.93 74.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 65' ' ' SER . 63.6 mttt -66.09 -44.04 85.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.4 t -35.36 -46.3 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -39.99 -49.13 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -92.42 -30.07 15.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.414 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 6.2 t0 -53.51 -38.43 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -75.82 -43.14 47.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 61.6 mtm -58.3 -47.04 84.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.81 -51.95 67.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -45.78 -38.39 7.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.22 -48.01 31.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.425 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 29.9 t0 -38.73 -42.59 0.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -58.41 -52.89 63.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.5 t -57.53 -52.4 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.2 tmm_? -55.36 -49.48 72.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -64.08 -36.94 85.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.34 -38.69 91.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -76.8 -21.48 55.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -85.76 -10.23 55.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.5 mmt -92.77 -26.14 17.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -64.03 -21.18 66.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -102.45 -35.87 8.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -73.13 -39.89 65.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 78' ' ' TYR . 17.3 mttm -63.41 136.53 57.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.424 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 13.6 mtm -106.68 160.09 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.5 m -111.48 163.72 13.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.821 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . . . -37.75 -54.09 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CE1' ' SG ' ' A' ' 52' ' ' CYS . 92.8 t80 -51.12 -46.25 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.424 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -57.59 -58.44 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -47.89 -42.6 27.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' HD1' ' CE2' ' A' ' 67' ' ' PHE . 58.2 t80 -60.87 -26.92 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.546 HG12 ' HE ' ' A' ' 31' ' ' ARG . 75.2 t -83.52 -55.01 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -54.67 -55.47 29.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.2 m -46.73 -57.43 4.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -56.13 -42.17 76.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.546 ' HE ' HG12 ' A' ' 27' ' ' VAL . 46.2 mtm180 -57.79 -51.97 67.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -53.15 -40.16 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.05 -35.27 79.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -61.91 -40.94 97.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -73.99 -44.03 56.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -36.03 32.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 46.8 mttm -95.2 -56.21 2.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -110.23 68.05 0.5 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.74 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.45 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.74 -17.96 37.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.385 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HG3' HG23 ' A' ' 41' ' ' VAL . 7.4 pt-20 -80.55 -38.72 29.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.485 HG23 ' HG3' ' A' ' 40' ' ' GLU . 60.8 t -82.96 127.81 68.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.74 59.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.39 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 43' ' ' VAL . 2.6 p -111.05 104.59 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 47' ' ' GLU . 2.1 m-20 -70.75 88.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' ASN . 14.1 t80 -35.82 -45.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.53 -46.67 63.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' ASN . 15.4 mm-40 -80.72 -52.66 7.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.501 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 4.4 t80 -48.66 -37.33 18.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -75.9 -45.92 32.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -31.48 63.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -24.62 41.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.584 ' SG ' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -67.71 -62.03 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.7 t -37.77 -54.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.822 ' O ' HG23 ' A' ' 58' ' ' THR . 4.5 mm-40 -64.71 -31.75 73.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 52' ' ' CYS . 56.1 mtt180 -76.1 -19.14 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.524 ' CD1' ' HE2' ' A' ' 64' ' ' LYS . 64.0 t-105 -84.97 -55.62 3.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -56.97 -28.59 62.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 54' ' ' GLU . 75.1 p -75.6 -21.04 58.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.3 mmm -48.02 176.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.9 m -118.73 26.2 9.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.81 -57.53 2.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -58.79 -24.39 61.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -81.07 -31.31 34.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.524 ' HE2' ' CD1' ' A' ' 56' ' ' TRP . 83.2 mttt -67.48 -46.65 72.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' LYS . 14.9 m -37.73 -47.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' SER . 7.1 ttpp -37.25 -49.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.4 ' CE2' ' HD1' ' A' ' 26' ' ' PHE . 20.0 m-85 -91.2 -40.19 11.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.821 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 1.7 t70 -46.38 -38.11 8.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -77.18 -47.73 19.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.4 mtm -50.32 -40.64 49.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.3 -53.11 54.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -42.22 -38.79 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.44 -48.81 16.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.1 OUTLIER -38.45 -42.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 16.2 ttmm -56.63 -52.14 66.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 83.7 t -56.83 -41.84 76.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -46.51 73.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 1.1 t80 -57.32 -53.69 55.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -45.28 -45.02 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -64.88 -51.49 61.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -50.46 -40.18 50.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.3 mmt -61.75 -37.83 85.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -69.7 -30.19 67.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.23 -47.92 13.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -68.11 -50.34 55.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.447 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.552 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.562 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 29.6 mtmt -121.04 141.92 50.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.1 mtm -131.77 157.97 42.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.1 m -101.15 155.56 17.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.44 -40.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -62.04 -58.93 6.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.21 -45.3 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -52.72 -44.07 66.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -61.8 -49.63 75.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -61.97 -41.13 89.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -65.05 -45.79 83.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.4 m -52.92 -57.74 9.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.7 t -52.78 -42.53 65.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 22.3 mtm180 -57.8 -52.27 66.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.3 -35.55 62.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.88 -30.21 65.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -70.23 -38.59 75.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -74.39 -28.84 61.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -64.7 -30.31 71.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 3.7 mmmp? -100.87 -51.37 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -111.59 68.59 0.76 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.8 Cg_endo -69.79 -25.37 28.54 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -105.23 32.49 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.641 HG13 ' HD2' ' A' ' 42' ' ' PRO . 86.7 t -134.61 138.4 29.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.592 0.71 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.641 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.8 155.11 66.64 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 43' ' ' VAL . 4.8 p -132.64 97.26 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' PHE . 37.3 m-20 -58.51 85.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' VAL . 9.4 t80 -37.84 -52.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.91 -46.03 3.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 50' ' ' LYS . 11.6 mt-10 -83.44 -57.99 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 5.2 t80 -40.33 -31.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.36 -45.14 56.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 47' ' ' GLU . 6.6 tppt? -51.07 -35.53 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HE2' ' CD2' ' A' ' 48' ' ' PHE . 1.8 pttm -78.71 -26.3 44.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.9 m -88.01 -66.11 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.9 p -42.29 -56.02 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 58' ' ' THR . 14.4 mt-10 -53.87 -33.39 56.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.0 mtt85 -75.79 -29.61 58.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.439 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 74.7 t-105 -65.67 -29.99 70.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -86.6 -33.37 20.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 54' ' ' GLU . 72.9 p -75.06 -15.36 60.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.5 mtp -74.69 165.54 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.8 m -112.54 154.88 25.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.04 -35.36 1.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -64.35 -43.54 94.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.717 0.294 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -73.32 -35.62 66.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 63.1 mttt -70.52 -41.17 72.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.7 m -35.05 -48.1 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -39.33 -49.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -90.78 -30.58 16.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -49.26 -36.77 21.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.4 -45.61 37.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 69.2 mtm -58.27 -40.69 82.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.89 -43.16 89.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -58.7 -26.35 63.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.0 -23.34 18.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -24.17 66.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -81.01 -43.24 19.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.37 -34.55 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.499 ' NE ' ' OE2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -65.88 -55.32 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 53.9 t80 -58.75 -40.9 85.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.68 -51.27 70.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -66.49 -24.52 66.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.499 ' OE2' ' NE ' ' A' ' 77' ' ' ARG . 56.3 mt-10 -82.12 -21.42 36.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.3 mmt -85.59 -28.2 24.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -24.93 62.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -96.27 -26.04 15.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -83.12 -40.72 19.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' GLY . 4.6 m 36.9 49.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -96.6 -49.95 4.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.31 58.72 9.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -170.84 115.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -90.87 83.38 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.12 -141.45 16.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.42 165.04 15.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.715 0.293 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.09 -40.54 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -90.13 90.48 8.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.23 126.84 1.69 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 2.3 t70 -89.84 140.59 27.84 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 54.0 Cg_endo -69.76 0.82 5.09 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.737 2.292 . . . . 0.0 112.338 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -89.31 -52.83 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.482 ' HG3' ' CZ ' ' A' ' 85' ' ' TYR . 16.1 ttpt -51.79 140.37 29.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.563 0.697 . . . . 0.0 110.915 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 52.9 Cg_endo -69.84 138.85 38.51 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.246 . . . . 0.0 112.343 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' O ' ' CE2' ' A' ' 78' ' ' TYR . 6.9 tmtt? -68.79 136.92 53.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' N ' ' HD3' ' A' ' 17' ' ' LYS . . . -41.81 161.54 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.479 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HG3' ' CD1' ' A' ' 78' ' ' TYR . 31.9 mtmm -70.39 134.02 47.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.8 mtp -108.65 148.89 29.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -105.88 158.67 16.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.47 -47.14 3.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -50.99 -62.21 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.35 -54.01 3.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -44.97 -49.94 10.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -53.9 -44.86 70.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.4 t -66.92 -49.03 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -61.5 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.5 m -46.22 -41.68 13.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.19 -40.6 96.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.579 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 8.9 mtp-105 -63.97 -55.55 21.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -48.59 -37.75 18.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.74 -38.55 80.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -62.44 -36.2 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HD3' ' C ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -73.15 -33.79 65.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -58.65 -33.92 70.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.446 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 2.5 mmmm -97.6 -54.03 3.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.416 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 2.0 m-80 -110.29 67.81 0.5 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.2 Cg_endo -69.82 -23.79 30.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.54 31.36 5.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 42' ' ' PRO . 95.2 t -129.08 138.85 34.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.671 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.78 148.97 66.1 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' ' 43' ' ' VAL . 7.7 p -132.57 98.79 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' PHE . 19.7 t30 -63.84 87.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' ASN . 15.3 t80 -37.3 -43.61 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.58 -52.21 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.076 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.79 -53.06 9.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 21.3 t80 -45.37 -40.24 7.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -69.94 -43.81 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.17 -33.59 41.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 8.4 ptpt -84.12 -31.14 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 85.0 m -76.48 -62.73 1.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -44.72 -48.18 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 58' ' ' THR . 12.3 mm-40 -61.68 -28.69 69.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -80.1 -17.62 52.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.404 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 74.1 t-105 -80.46 -40.28 26.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -73.97 -33.1 63.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 54' ' ' GLU . 69.8 p -77.47 -13.78 59.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.8 mtp -71.87 157.14 38.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 63' ' ' GLU . 1.8 t -102.8 143.45 32.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -35.72 -36.94 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -61.94 -46.78 87.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.692 0.282 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 60' ' ' SER . 5.5 mp0 -67.28 -44.72 78.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 70.7 mttt -60.32 -25.3 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -44.66 -53.98 6.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.489 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 14.2 ptmt -45.5 -40.53 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.489 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 78.5 m-85 -89.37 -13.0 38.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -75.77 -45.5 35.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -60.89 -40.98 95.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.4 mtm -66.26 -57.7 6.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.817 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.45 -48.79 68.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -49.28 -33.62 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.68 -19.48 27.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -73.63 -17.26 61.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -88.38 -33.39 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 p -80.15 -33.38 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -69.04 -49.5 56.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.463 ' CE2' ' O ' ' A' ' 17' ' ' LYS . 57.3 t80 -63.04 -42.56 99.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -56.1 -47.09 78.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 mtm105 -65.88 -39.54 90.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.66 -39.05 83.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.0 mmt -63.42 -32.7 74.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -58.96 -45.46 90.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.53 -38.85 54.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.482 ' CZ ' ' HG3' ' A' ' 15' ' ' LYS . 7.3 t80 -64.43 -61.15 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -66.02 140.24 58.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.9 p -47.56 172.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.3 82.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p -92.6 121.41 34.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p 39.8 43.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.58 129.2 1.93 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -136.73 138.0 40.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.746 0.307 . . . . 0.0 110.915 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 8' ' ' MET . . . -37.18 133.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -118.77 -0.58 11.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.33 114.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.6 149.93 1.0 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -41.8 3.91 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.02 73.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.524 ' HD2' ' CE1' ' A' ' 85' ' ' TYR . 17.5 tptp -169.23 136.07 1.47 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 173.03 11.5 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -117.82 64.48 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.54 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . 40.25 -159.62 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.492 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -112.66 116.21 29.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.744 0.307 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.432 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 3.6 mtm -99.82 158.18 15.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 22' ' ' ALA . 7.0 m -110.08 159.21 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -36.32 -47.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.072 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -53.95 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.43 -43.6 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.114 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -53.9 -43.59 69.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -61.77 -47.67 84.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.26 -41.81 88.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -64.72 -48.93 72.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.1 m -53.92 -53.53 51.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.4 t -53.72 -41.05 66.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.593 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 14.8 mtt180 -60.51 -42.74 97.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -60.26 -43.6 96.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -59.28 -30.56 68.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -67.57 -63.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -41.76 -58.09 2.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.81 -33.98 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 33.5 mmtm -91.16 -61.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.46 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 5.6 m120 -109.38 70.51 0.47 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.71 -14.88 36.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.381 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -113.48 24.96 11.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.587 HG13 ' HD2' ' A' ' 42' ' ' PRO . 57.9 t -128.99 137.68 31.54 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.663 0.744 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.587 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.4 Cg_endo -69.75 163.52 37.96 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.36 104.96 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -68.5 91.68 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -40.1 -53.05 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.72 -38.64 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -89.88 -58.31 2.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.593 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 23.2 t80 -41.72 -33.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.64 -44.39 57.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.27 -29.66 6.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 3.9 ptpp? -88.98 -30.75 18.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 80.4 m -73.46 -64.19 1.04 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.3 p -44.58 -49.56 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 58' ' ' THR . 15.2 mm-40 -59.82 -27.28 66.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' CYS . 27.5 mtt180 -80.83 -21.62 40.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -76.43 -40.9 49.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -73.74 -29.2 62.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 54' ' ' GLU . 72.8 p -78.13 -30.33 49.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.9 mtp -62.17 152.23 33.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 p -95.93 151.85 19.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -38.62 -32.35 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -60.03 3.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -55.48 -36.35 66.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 65' ' ' SER . 73.6 mttt -67.26 -43.18 82.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' LYS . 5.8 t -35.83 -49.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' SER . 12.5 tttt -37.64 -50.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -89.15 -26.72 21.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' CB ' ' HA ' ' A' ' 65' ' ' SER . 6.9 t0 -53.32 -41.42 65.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -72.81 -43.73 62.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 72.6 mtm -59.88 -38.14 81.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.35 -47.48 76.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -53.98 -23.04 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.67 -14.92 18.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.08 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 20' ' ' MET . 4.4 t70 -65.72 -23.27 66.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -83.38 -45.07 14.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p -74.7 -32.22 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.408 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.1 tmm_? -70.35 -40.11 74.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.54 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 88.5 t80 -68.84 -45.75 70.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.987 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -50.03 -51.54 41.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -60.69 -37.8 82.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.15 -44.49 94.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.505 ' SD ' ' CZ ' ' A' ' 78' ' ' TYR . 63.6 mmm -60.95 -33.87 73.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -53.19 -38.04 62.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.89 -45.77 26.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.524 ' CE1' ' HD2' ' A' ' 15' ' ' LYS . 8.6 t80 -60.05 -58.69 7.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.442 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -105.7 131.64 52.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.6 p -122.03 127.6 50.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.21 168.37 38.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.7 t -56.31 132.9 52.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 p -99.94 173.51 6.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.64 84.84 0.57 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -22.9 38.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.78 -31.41 6.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.51 124.72 31.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.48 130.54 1.3 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -159.71 151.35 16.65 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -21.18 33.93 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.373 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -68.3 -40.1 81.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.96 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 18.3 tttt -108.07 143.24 26.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 0.0 110.915 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.4 Cg_endo -69.79 129.31 17.35 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.725 2.283 . . . . 0.0 112.316 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -94.99 76.21 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.504 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . 42.91 -164.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 31.8 mtmm -108.83 135.68 49.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.5 mtp -112.71 130.94 55.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' ALA . 26.3 m -86.04 154.06 21.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -36.14 -44.07 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -57.75 -57.77 11.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.56 -55.11 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -43.06 -48.68 6.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -55.95 -50.13 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.463 HG22 ' HB3' ' A' ' 52' ' ' CYS . 67.9 t -59.1 -40.72 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -65.02 -48.35 74.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.534 HG22 ' OE1' ' A' ' 33' ' ' GLU . 33.1 m -58.93 -52.71 64.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.4 m -52.16 -40.85 62.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.59 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 16.3 mtp180 -59.59 -51.54 69.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -57.81 -39.02 76.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.534 ' OE1' HG22 ' A' ' 29' ' ' THR . 20.6 mt-10 -66.66 -31.19 71.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -71.87 -42.21 67.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -52.68 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.6 -27.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 18.4 mtpp -100.25 -56.4 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -108.73 70.66 0.4 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.74 -22.75 31.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -85.56 -23.25 27.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.0 t -94.07 131.23 32.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.662 0.744 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 179.79 3.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.0 p -140.05 109.35 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' GLU . 24.8 m-20 -67.13 81.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 44' ' ' ASN . 13.7 t80 -34.53 -53.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.45 -45.34 9.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' ASN . 8.8 mm-40 -84.2 -56.21 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.59 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 30.8 t80 -40.49 -33.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t -78.01 -41.93 34.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -55.57 -29.18 58.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -92.04 -34.25 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.463 ' HB3' HG22 ' A' ' 27' ' ' VAL . 13.5 m -64.71 -36.27 83.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 m -69.97 -53.77 16.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.732 ' O ' HG23 ' A' ' 58' ' ' THR . 11.1 mm-40 -58.45 -27.56 64.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -73.46 -32.73 64.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -65.73 -49.98 66.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -65.23 -38.11 89.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.732 HG23 ' O ' ' A' ' 54' ' ' GLU . 82.2 p -71.06 -32.83 69.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.3 mtp -52.43 159.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' GLY . 8.4 t -100.62 143.62 30.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -34.49 -41.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -58.76 -55.4 35.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.736 0.303 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -58.62 -34.08 70.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 65' ' ' SER . 68.5 mttt -69.92 -45.22 67.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' LYS . 68.1 m -36.13 -47.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -41.61 -47.65 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -92.37 -24.75 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -59.84 -25.39 64.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -87.15 -37.36 17.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 34.6 mtm -65.68 -49.94 66.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.96 -48.95 74.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -46.22 -40.92 12.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.85 -13.63 41.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.064 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -76.05 -20.86 57.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -87.08 -36.32 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 p -80.78 -34.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -44.44 81.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 88.9 t80 -62.98 -47.61 82.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -46.89 -55.85 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -63.23 -36.91 85.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.36 -38.96 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 mmt -71.98 -24.27 61.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -72.59 -37.65 68.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.39 -41.08 20.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -63.64 -52.55 60.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -117.38 108.55 15.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 m -96.51 122.95 39.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.64 -136.15 0.17 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.543 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 m -162.08 111.87 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 p -91.34 104.45 16.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.91 -123.02 0.89 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.0 mmt -48.33 -58.17 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.41 137.35 42.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -128.45 114.87 17.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.48 -176.88 49.88 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -121.94 143.07 37.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.594 0.712 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -34.91 13.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.307 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -68.77 -44.6 73.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 40.1 tttt -56.14 140.4 70.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.552 0.691 . . . . 0.0 110.903 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.3 Cg_endo -69.83 140.49 42.53 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.691 2.261 . . . . 0.0 112.318 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -60.09 119.28 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.551 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . -46.2 137.99 7.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -60.82 133.79 56.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 75.6 mtp -81.47 163.2 22.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 22' ' ' ALA . 37.1 m -118.66 153.12 34.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -34.04 -52.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -55.93 -63.16 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.03 -45.46 7.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.049 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -55.04 -38.59 68.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -65.1 -42.19 94.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.13 -41.1 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -67.14 -51.63 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.3 m -49.82 -52.17 34.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 m -58.24 -37.27 74.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 23.6 mtm180 -62.89 -48.72 77.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -55.39 -40.58 71.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -68.24 -35.24 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.421 ' NE2' ' HB ' ' A' ' 43' ' ' VAL . 17.7 t60 -65.2 -39.84 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -73.87 -44.95 53.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -53.33 -36.5 61.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 36.3 mttp -93.45 -57.03 2.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.42 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 12.1 m-80 -109.24 68.87 0.4 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.451 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.7 Cg_endo -69.75 -28.11 25.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.334 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.41 37.06 2.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.528 HG13 ' HD2' ' A' ' 42' ' ' PRO . 93.0 t -132.99 135.45 25.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 111.143 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.528 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.74 141.96 46.75 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 43' ' ' VAL . 7.5 p -124.46 101.59 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 47' ' ' GLU . 2.2 m-20 -57.04 80.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' VAL . 6.8 t80 -35.68 -60.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.71 -40.71 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' ASN . 12.2 mt-10 -83.63 -63.0 1.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.406 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 3.1 t80 -42.36 -24.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -85.62 -43.31 13.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -52.7 -29.29 25.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -37.21 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.3 m -60.6 -54.67 42.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.2 p -56.63 -59.95 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 58' ' ' THR . 5.7 mm-40 -50.32 -32.03 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -70.8 -30.2 66.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -68.97 -57.65 5.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -56.28 -35.51 67.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 54' ' ' GLU . 82.1 p -72.21 -33.65 67.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.3 mtp -56.87 170.51 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.7 t -106.91 165.76 11.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.07 -41.95 30.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.474 ' N ' ' HE3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.27 -54.5 36.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.748 0.308 . . . . 0.0 110.96 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -51.67 -33.23 32.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' SER . 78.5 mttt -80.33 -36.67 33.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 68' ' ' ASP . 3.5 t -37.88 -57.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.465 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 18.5 ptmt -41.24 -44.12 2.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.465 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 86.7 m-85 -82.29 -21.02 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' SER . 14.5 t0 -66.38 -58.25 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -49.92 -43.88 50.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.3 mtm -57.24 -52.85 63.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.6 91.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -44.01 -46.69 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.23 -46.27 64.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -49.95 -44.81 50.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.15 -47.78 77.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.2 t -55.02 -52.09 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -51.35 -59.28 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.551 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 44.3 t80 -50.98 -49.81 59.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -46.28 -55.64 6.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -57.54 -44.21 84.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.0 -19.44 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.6 mmt -82.68 -34.25 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -62.77 -47.96 81.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -68.49 -44.44 74.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -56.0 -63.09 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 p -94.18 -50.75 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.815 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -68.47 -55.03 13.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.48 -123.68 1.6 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.552 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 t -85.98 89.97 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 t -70.56 132.01 44.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.87 -175.69 33.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.6 mtp -46.02 -54.72 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.58 91.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -88.48 -47.06 8.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.43 177.5 48.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.44 149.64 88.9 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.699 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -14.33 36.01 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.662 2.242 . . . . 0.0 112.343 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -58.82 -40.31 83.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 59.3 tttm -60.75 139.44 93.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.643 0.735 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.4 Cg_endo -69.78 117.61 5.19 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' GLY . 24.1 ttmt -53.56 127.97 27.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -34.46 151.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 38.6 mtmt -76.0 130.97 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 68.9 mtp -101.84 140.14 36.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' ALA . 49.6 m -98.51 148.87 23.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -34.26 -47.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.085 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -56.03 -54.61 42.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.77 -48.35 66.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -48.44 -42.01 31.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -61.91 -51.47 68.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.3 t -58.99 -46.34 91.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -62.57 -56.33 18.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 90.4 m -51.13 -50.6 58.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.38 -40.11 67.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 34.4 mtp180 -61.42 -52.6 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -56.15 -37.98 70.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -63.28 -38.46 91.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.06 -57.26 9.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -58.18 -47.55 83.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -47.17 -31.63 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -93.76 -60.56 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.624 ' HB2' HG12 ' A' ' 41' ' ' VAL . 11.0 m-80 -108.16 70.41 0.35 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.671 0.748 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.3 Cg_endo -69.73 -6.28 18.21 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.388 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -100.02 -21.8 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.624 HG12 ' HB2' ' A' ' 38' ' ' ASN . 1.8 p -94.89 136.7 22.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.612 0.72 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.477 ' HD2' HG22 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.76 172.24 13.0 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 43' ' ' VAL . 7.4 p -138.94 105.33 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' PHE . 35.4 t-20 -61.48 76.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' VAL . 29.4 t80 -34.52 -53.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.85 -50.92 5.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 49' ' ' SER . 6.5 mt-10 -79.12 -55.68 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 1.7 t80 -42.22 -23.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.1 t -83.67 -48.68 9.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -55.59 -21.01 15.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.419 ' HD3' ' CD ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -91.98 -30.73 15.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.22 -51.22 12.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.6 p -49.98 -61.02 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.626 ' O ' HG23 ' A' ' 58' ' ' THR . 18.3 mt-10 -52.79 -36.98 59.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.419 ' CD ' ' HD3' ' A' ' 51' ' ' LYS . 8.8 mtp85 -65.6 -25.73 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.479 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 72.1 t-105 -72.19 -39.81 68.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -76.68 -30.61 56.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 54' ' ' GLU . 69.5 p -77.75 -31.73 52.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.3 mtp -56.34 169.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.8 t -113.6 152.33 30.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -43.39 -31.09 1.44 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -67.76 -48.4 66.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.706 0.289 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -71.11 -29.0 64.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 66.3 mttt -72.61 -44.17 62.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' LYS . 69.6 m -35.52 -43.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -42.38 -49.83 5.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -91.89 -31.44 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -51.99 -38.78 57.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.46 -44.22 52.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 60.3 mtm -57.82 -47.41 82.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.14 -52.22 65.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.446 ' O ' HG23 ' A' ' 76' ' ' VAL . 23.4 mmtm -43.7 -42.8 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.48 -42.26 62.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.055 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -56.67 -43.83 80.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -62.53 -31.41 72.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 72' ' ' LYS . 95.1 t -77.71 -54.9 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.421 ' HD3' ' C ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -49.52 -35.23 19.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 28.3 t80 -68.43 -55.74 10.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -41.73 -46.76 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 10.3 mtp-105 -63.03 -42.38 99.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -60.82 -38.61 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.6 mmt -63.8 -34.33 77.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -54.08 -55.02 31.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.49 -46.2 73.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -50.72 -59.98 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m -119.31 103.11 9.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -163.59 175.06 11.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.2 112.45 3.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -52.33 125.44 16.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 m -104.82 -46.75 4.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.64 -134.71 12.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ttt -77.57 144.18 37.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.6 136.29 32.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.73 40.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.4 107.09 0.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -149.52 154.72 38.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -34.56 14.4 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.38 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -84.9 -40.88 16.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 36.4 tttp -90.34 139.92 26.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.573 0.702 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.7 Cg_endo -69.74 171.3 14.69 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.87 124.01 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.57 158.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.471 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -76.21 134.31 39.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.0 mtm -124.36 165.35 17.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.8 m -108.27 158.66 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . . . -40.78 -41.69 1.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -57.3 -56.85 16.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.35 -59.28 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -38.69 -49.09 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -55.29 -46.99 76.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.432 HG13 ' HE1' ' A' ' 48' ' ' PHE . 95.9 t -66.76 -49.11 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -51.92 65.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 90.7 m -54.85 -43.89 73.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.7 m -60.75 -37.06 80.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.53 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 8.1 mtp-105 -63.03 -48.95 76.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -57.02 -42.46 80.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.56 -39.91 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.412 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 11.8 t60 -64.64 -64.54 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -51.42 -40.22 58.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -51.43 -37.19 47.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 1.2 mptm? -94.52 -58.8 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -108.07 70.53 0.34 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.665 0.745 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.448 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.2 Cg_endo -69.81 -25.83 27.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG3' HG23 ' A' ' 41' ' ' VAL . 9.0 pt-20 -77.98 -29.48 49.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.615 HG13 ' HD2' ' A' ' 42' ' ' PRO . 91.3 t -88.84 137.53 29.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.615 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.72 170.07 17.4 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 43' ' ' VAL . 6.6 p -131.55 92.29 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -53.73 85.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' VAL . 9.9 t80 -38.35 -48.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.03 -47.63 16.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -81.69 -55.19 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.53 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 16.7 t80 -40.92 -38.01 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.76 -46.46 53.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.94 -33.08 10.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -83.12 -31.22 27.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 55' ' ' ARG . 56.1 m -84.57 -65.1 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . 18.9 p -36.72 -49.09 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.64 -38.47 91.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 52' ' ' CYS . 10.5 mtp180 -68.38 -18.31 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -78.29 -40.36 37.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -75.74 -33.33 60.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.2 p -79.35 -5.12 53.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.5 mtp -82.52 156.32 24.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 73.3 m -93.78 162.24 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.39 -35.75 36.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -65.69 -52.05 54.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.14 -39.61 69.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -72.0 -32.41 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 68' ' ' ASP . 19.3 t -40.99 -54.21 2.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 67' ' ' PHE . 16.5 ptmt -43.52 -44.77 6.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.412 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 63.4 m-85 -84.87 -18.59 34.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.423 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 16.0 t0 -68.18 -48.58 64.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -62.99 -38.62 91.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.0 mtm -65.13 -47.91 75.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.33 70.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -48.15 -50.33 29.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.3 -51.99 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.055 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -42.86 -41.41 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -60.84 -43.25 98.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.8 t -70.85 -56.0 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.44 ' O ' ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -47.81 -36.2 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.503 ' CE2' ' HG3' ' A' ' 82' ' ' MET . 24.0 t80 -73.51 -49.29 27.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.25 -47.23 18.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -74.77 -53.89 8.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.465 ' CA ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -45.92 -40.08 9.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.503 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 87.6 mmm -75.82 -27.35 57.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -69.35 -26.54 64.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -92.2 -34.88 14.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -64.88 -47.95 75.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m -108.0 104.93 14.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 p -123.5 169.52 11.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.69 161.12 24.71 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 m -136.64 120.28 17.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.826 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 p -48.66 169.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.17 129.71 9.61 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.448 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.2 mtp -104.29 86.9 2.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.61 123.14 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -141.15 155.19 46.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.44 53.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -174.63 143.01 0.8 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.576 0.703 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' LYS . 54.0 Cg_endo -69.78 -47.72 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.311 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.5 ttmt -34.36 -45.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 51.1 tttm -90.23 140.0 27.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.575 0.702 . . . . 0.0 110.9 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.7 Cg_endo -69.73 156.08 64.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 78' ' ' TYR . 17.4 pttt -96.42 129.78 43.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -36.28 139.65 0.3 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -77.98 141.6 38.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.445 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 6.6 mtm -98.2 163.06 12.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 24' ' ' ALA . 49.1 m -104.77 150.53 24.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' CA ' ' HB2' ' A' ' 71' ' ' ALA . . . -36.11 -45.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -56.35 -44.19 79.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 21' ' ' SER . . . -56.77 -54.47 45.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -45.08 -40.37 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.71 -43.28 99.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -66.97 -46.51 84.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -56.37 -41.9 76.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.7 m -64.23 -53.09 54.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.5 t -51.77 -38.68 56.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -63.13 -55.12 27.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -35.4 61.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -64.43 -41.73 96.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -62.01 -44.86 95.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -66.13 -39.24 89.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -48.8 -35.0 13.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 5.3 mptp? -96.94 -54.81 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -109.61 70.06 0.48 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.632 0.729 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.411 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.6 Cg_endo -69.71 -15.14 37.11 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.272 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.02 32.9 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 42' ' ' PRO . 99.4 t -134.37 138.96 31.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.596 0.712 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.82 153.51 68.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.292 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.581 ' O ' HG13 ' A' ' 43' ' ' VAL . 6.0 p -132.17 93.88 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' PHE . 14.7 m-20 -52.52 86.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' VAL . 7.2 t80 -34.44 -46.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.41 -59.65 3.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.067 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -65.99 -53.41 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.59 ' CE2' ' SG ' ' A' ' 52' ' ' CYS . 70.3 t80 -44.24 -64.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.65 -46.55 7.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -49.13 -37.15 21.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -77.69 -28.64 51.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.59 ' SG ' ' CE2' ' A' ' 48' ' ' PHE . 4.4 m -80.79 -65.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.1 p -44.68 -51.44 9.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.881 ' O ' HG23 ' A' ' 58' ' ' THR . 11.5 mt-10 -57.13 -30.99 64.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -78.53 -25.7 45.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -66.4 -47.49 73.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -68.78 -33.47 73.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.881 HG23 ' O ' ' A' ' 54' ' ' GLU . 33.0 p -73.04 -32.57 65.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.4 mtp -58.79 160.5 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.8 m -109.99 157.45 19.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -45.88 -33.98 5.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 10.7 ptpp? -63.37 -44.08 95.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 37.9 mm-40 -78.74 -31.35 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' SER . 60.7 mttt -71.03 -40.47 71.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 64' ' ' LYS . 13.9 m -35.7 -45.51 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -43.55 -47.98 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -90.26 -28.6 18.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -52.23 -42.94 64.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -66.74 -52.22 46.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.0 mtm -51.87 -38.25 55.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.416 ' HB2' ' CA ' ' A' ' 22' ' ' ALA . . . -67.89 -47.71 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -42.66 -35.29 1.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.02 -35.76 16.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.1 OUTLIER -45.12 -43.03 9.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 17.7 ttpt -69.32 -45.04 70.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.469 HG13 ' HD3' ' A' ' 80' ' ' ARG . 86.1 t -58.53 -44.4 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -55.59 -61.11 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 34.4 t80 -64.07 -57.78 8.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' TYR . 27.4 t70 -36.62 -59.87 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.469 ' HD3' HG13 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -59.41 -33.35 71.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 78' ' ' TYR . 21.2 mm-40 -70.19 -29.76 66.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.2 mmt -72.74 -29.81 63.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -61.94 -41.39 97.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.78 -45.56 57.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -63.38 -59.2 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.504 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 p -49.59 115.91 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -66.98 130.57 43.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.55 -170.8 40.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.1 p -92.16 111.43 22.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.823 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t 49.93 29.23 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.25 146.37 44.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mtm -45.21 165.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.54 112.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 10' ' ' LYS . 1.2 pptp? -148.11 164.69 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.86 -173.78 13.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.455 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -104.16 148.36 35.79 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.597 0.713 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -2.73 10.71 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -88.91 -50.4 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -53.79 150.05 15.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 110.926 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 126.17 13.0 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' GLY . 49.5 tttm -54.86 128.5 33.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -36.98 124.16 0.97 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.535 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -73.56 141.8 46.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.779 0.323 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.442 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 5.9 mtm -111.97 155.77 23.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.7 m -98.55 156.95 16.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.03 -40.44 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -63.58 -53.69 47.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.25 -52.25 59.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 15.8 m-85 -47.9 -42.06 26.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -60.05 -37.56 80.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -69.7 -48.47 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -61.71 -44.08 97.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.2 m -60.58 -58.4 8.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.09 -43.26 30.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 23.5 mtp180 -58.52 -54.31 48.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -55.49 -36.64 66.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -72.2 -39.98 68.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.425 ' NE2' ' HB ' ' A' ' 43' ' ' VAL . 12.7 t60 -55.72 -39.5 71.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -72.39 -40.6 67.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.19 -36.51 52.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -95.21 -53.84 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -110.76 67.11 0.53 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.5 Cg_endo -69.72 -18.15 37.34 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -108.8 26.48 10.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.42 HG13 ' HD2' ' A' ' 42' ' ' PRO . 44.1 t -126.39 132.88 24.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.8 139.3 39.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 43' ' ' VAL . 7.3 p -118.21 99.05 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 45' ' ' PHE . 79.2 m-20 -64.13 87.98 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 44' ' ' ASN . 6.9 t80 -36.26 -46.43 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.89 -46.88 43.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 44' ' ' ASN . 8.0 mt-10 -79.25 -58.3 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.46 ' O ' ' CG ' ' A' ' 51' ' ' LYS . 43.3 t80 -42.75 -43.8 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -51.94 50.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -45.87 -32.83 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -88.69 -29.11 20.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 53' ' ' SER . 1.4 p -59.07 -44.81 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.495 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 4.4 t -68.99 -53.85 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 58' ' ' THR . 4.9 mm-40 -59.17 -24.84 63.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -80.05 -33.02 39.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.511 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 69.6 t-105 -63.12 -47.86 80.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -62.28 -31.32 71.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 54' ' ' GLU . 80.9 p -77.59 -29.62 52.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 67.1 mtp -62.52 149.03 44.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -103.92 161.86 13.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.09 -37.2 10.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -58.81 -31.38 68.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -91.64 -47.02 7.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 75.3 mttt -56.75 -35.99 69.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -34.86 -60.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -38.7 -50.02 1.61 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -90.0 -10.55 44.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' SER . 4.9 t70 -72.91 -36.96 67.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -79.64 -43.06 23.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 67.4 mtm -58.36 -46.13 86.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.7 68.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.613 ' O ' HG23 ' A' ' 76' ' ' VAL . 39.6 mmtt -51.98 -39.0 58.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.9 -41.59 22.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.09 -42.05 80.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -66.41 -44.5 82.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 72' ' ' LYS . 94.0 t -62.7 -50.71 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 3.9 tmm_? -51.39 -45.33 62.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -64.07 -49.57 71.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.51 -46.47 70.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -64.56 -45.62 86.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -62.93 -36.54 83.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.4 mmt -62.88 -31.77 72.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -61.42 -51.44 68.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.51 -42.78 61.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -56.79 -61.85 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.472 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' SER . 90.5 p -121.04 148.67 43.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . 31.5 t -38.57 112.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.23 62.45 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 m -125.03 107.21 10.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 p -46.43 155.35 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.97 150.92 4.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.2 ttt 57.94 41.79 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.35 160.27 29.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -99.77 116.24 31.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.32 100.15 2.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -78.34 144.04 65.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.591 0.71 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -3.68 12.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.359 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -95.23 -45.72 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.453 ' CD ' ' HD2' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -58.14 137.63 84.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.568 0.699 . . . . 0.0 110.907 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.467 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 53.9 Cg_endo -69.72 141.39 45.28 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.388 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' GLY . 23.9 tptt -83.3 134.21 34.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -34.39 138.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.547 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 8.5 mtmp? -70.85 134.41 47.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.726 0.298 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.553 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 8.6 mtm -123.48 159.25 29.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' ALA . 5.6 m -105.53 158.71 16.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -36.13 -48.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.465 ' O ' HG23 ' A' ' 27' ' ' VAL . 18.5 t80 -57.12 -44.88 83.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.553 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -59.34 -50.93 72.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -50.53 -50.82 52.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.452 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 45.9 t80 -51.86 -35.38 44.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 23' ' ' TYR . 59.0 t -67.3 -55.47 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -50.99 -47.99 61.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.2 m -58.85 -62.15 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 30.9 m -44.21 -32.12 1.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.541 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 38.4 mtp180 -71.89 -47.92 49.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -55.75 -38.66 70.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.86 -38.38 90.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.572 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 11.6 t60 -67.32 -37.27 83.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -78.4 -28.06 46.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -64.83 -31.78 73.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -100.71 -49.08 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -117.0 68.16 4.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -26.33 27.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.657 2.238 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -76.57 -34.78 58.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.415 HG13 ' HD2' ' A' ' 42' ' ' PRO . 97.6 t -81.32 132.31 56.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.638 0.732 . . . . 0.0 111.184 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.415 ' HD2' HG13 ' A' ' 41' ' ' VAL . 54.2 Cg_endo -69.72 156.38 63.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.394 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.572 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 3.4 p -116.69 107.17 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -65.95 85.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -39.91 -49.99 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.47 -48.97 10.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' SER . 23.2 mm-40 -82.87 -57.9 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.541 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 3.2 t80 -39.44 -28.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -78.75 -45.88 20.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.1 tmmt? -49.32 -28.75 5.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -22.19 24.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.496 ' SG ' ' N ' ' A' ' 53' ' ' SER . 1.3 p -68.79 -44.55 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.496 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 3.2 t -61.21 -54.46 44.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.601 ' O ' HG23 ' A' ' 58' ' ' THR . 12.2 mm-40 -57.87 -32.18 67.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 mtp85 -75.13 -25.81 58.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.405 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 75.9 t-105 -78.13 -47.29 18.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -66.27 -36.13 82.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 54' ' ' GLU . 74.2 p -75.83 -23.72 55.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 26.4 mtp -69.73 148.52 49.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.6 t -91.87 164.81 13.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.1 -26.62 12.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -49.49 47.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.73 0.3 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -67.49 -19.51 65.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 65' ' ' SER . 70.5 mttt -89.47 -43.18 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' LYS . 55.5 m -37.64 -49.57 1.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -41.41 -48.89 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -86.02 -23.15 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -59.69 -36.72 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -78.96 -32.27 45.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.0 mtm -70.77 -33.93 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.56 87.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -64.36 -43.52 94.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.99 -28.09 68.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -70.59 -24.87 62.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -83.42 -45.33 13.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.03 -33.66 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -73.25 -48.0 38.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.467 ' CD2' ' HB2' ' A' ' 16' ' ' PRO . 19.5 t80 -67.02 -41.02 87.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.35 -54.0 30.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -64.36 -56.39 14.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.463 ' CA ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -50.97 -17.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.409 ' CG ' ' CE1' ' A' ' 78' ' ' TYR . 10.7 mmt -86.98 -38.23 16.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -74.46 -15.41 60.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -98.5 -27.11 14.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -83.91 -42.62 16.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.0 t -114.26 145.49 41.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.8 p -154.75 121.52 5.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.84 62.0 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -116.75 153.27 32.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -102.71 -44.78 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.31 156.94 15.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptm -73.22 -44.0 60.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.729 0.3 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.17 78.71 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.33 145.08 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.68 103.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -117.8 149.78 45.85 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.588 0.708 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -50.2 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.39 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -51.31 -40.49 59.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.477 ' CD ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -91.98 139.09 24.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.899 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.477 ' HD2' ' CD ' ' A' ' 15' ' ' LYS . 53.9 Cg_endo -69.79 136.42 32.87 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -52.24 117.72 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.82 162.31 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.439 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -62.32 115.0 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 45.1 mtp -92.11 137.73 32.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.9 m -93.25 154.15 18.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.62 -42.22 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -55.69 -48.32 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.08 -58.79 6.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.062 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -40.34 -42.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.85 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.59 HG13 ' HE1' ' A' ' 48' ' ' PHE . 91.2 t -64.58 -50.32 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -57.64 -48.15 80.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.1 m -56.23 -59.59 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 t -50.38 -38.08 40.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.538 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 54.7 mtm180 -61.79 -52.31 64.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -56.89 -44.7 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.49 -37.49 81.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -61.21 -47.08 87.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 30.5 tttt -71.34 -56.47 5.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' LYS . 16.9 mmmt -35.2 -36.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' LYS . 52.9 mttm -94.77 -60.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -108.18 73.26 0.44 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.643 0.735 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.5 Cg_endo -69.79 -31.63 20.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HG3' HG23 ' A' ' 41' ' ' VAL . 11.8 pt-20 -68.85 -39.18 80.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.438 HG23 ' HG3' ' A' ' 40' ' ' GLU . 95.9 t -82.61 123.39 78.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -179.67 3.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.284 . . . . 0.0 112.358 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 43' ' ' VAL . 3.5 p -141.31 105.0 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' PHE . 8.5 t30 -58.43 81.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 43' ' ' VAL . 17.0 t80 -36.78 -54.61 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -38.89 -44.34 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' SER . 8.8 mt-10 -88.28 -58.81 2.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.59 ' HE1' HG13 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -41.2 -26.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -77.55 -44.96 26.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.822 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 47' ' ' GLU . 2.4 tppp? -59.27 -34.38 72.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -21.73 43.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.521 ' HB3' HG22 ' A' ' 27' ' ' VAL . 2.1 m -84.19 -55.09 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 76.1 p -50.49 -46.96 57.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.72 ' O ' HG23 ' A' ' 58' ' ' THR . 17.2 mt-10 -65.81 -37.78 87.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -65.6 -23.63 66.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -70.76 -47.0 61.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -69.61 -34.9 74.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 54' ' ' GLU . 39.1 p -70.69 -27.08 63.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.3 mtp -61.44 163.98 6.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -107.21 152.99 23.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -36.77 -44.16 0.9 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -61.49 -55.02 35.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.322 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.23 -29.48 61.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' SER . 72.8 mttt -77.87 -39.94 41.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.438 ' HA ' ' CB ' ' A' ' 68' ' ' ASP . 14.7 m -34.99 -51.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.558 ' HD2' ' CZ ' ' A' ' 67' ' ' PHE . 1.5 tmtp? -39.68 -50.77 2.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.558 ' CZ ' ' HD2' ' A' ' 66' ' ' LYS . 33.2 m-85 -92.24 -14.47 28.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' CB ' ' HA ' ' A' ' 65' ' ' SER . 9.1 t0 -66.55 -38.59 87.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -81.49 -25.02 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.494 ' HE1' ' HE2' ' A' ' 66' ' ' LYS . 49.1 mtm -78.97 -27.07 43.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.26 -31.21 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -66.3 -36.06 81.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.88 -39.95 25.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -38.98 -42.57 0.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -56.12 -46.18 79.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.49 -52.53 60.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.3 tmm_? -53.12 -48.32 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -59.05 -48.14 82.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -48.89 -44.53 40.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.807 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -67.13 -33.83 76.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.86 -34.8 72.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.9 mmt -64.65 -31.41 72.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -64.86 -55.2 20.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.89 -49.25 78.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -56.85 -52.11 66.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -68.16 132.41 47.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 p -156.93 162.79 39.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.64 -65.11 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 m -41.5 135.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.886 0.374 . . . . 0.0 110.794 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 t -118.04 81.27 1.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.95 81.38 1.76 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.8 tpt -39.48 110.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 10' ' ' LYS . . . -167.07 110.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -37.43 151.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -102.05 122.33 7.51 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.53 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -45.93 150.8 0.96 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.624 0.726 . . . . 0.0 110.826 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -50.43 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -84.64 58.14 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.478 ' CD ' ' HD2' ' A' ' 16' ' ' PRO . 7.8 tppt? -151.76 138.63 12.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.708 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.478 ' HD2' ' CD ' ' A' ' 15' ' ' LYS . 54.0 Cg_endo -69.77 142.17 47.15 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.658 2.238 . . . . 0.0 112.321 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 18' ' ' GLY . 7.6 tppt? -69.6 112.17 5.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -34.31 150.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -61.0 125.7 24.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 71.8 mtp -106.36 157.12 17.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 m -112.81 156.11 23.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.66 -52.69 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -50.18 -51.49 43.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' PHE . . . -51.64 -63.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' ALA . 45.6 m-85 -38.22 -48.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.63 -44.96 73.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 24' ' ' ALA . 95.6 t -65.95 -42.43 91.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -61.7 -52.83 62.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.6 m -47.18 -57.75 4.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.0 m -50.04 -47.23 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 40.6 mtp180 -52.81 -51.09 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -62.69 -42.98 99.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -57.7 -20.09 31.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -90.56 -46.65 8.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -68.27 -51.63 42.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -39.52 -37.69 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.428 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 9.6 mmtm -94.94 -58.48 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -107.47 72.21 0.34 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.428 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.4 Cg_endo -69.69 -28.38 25.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.361 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.466 ' HG3' HG23 ' A' ' 41' ' ' VAL . 13.9 pt-20 -73.33 -34.79 65.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.466 HG23 ' HG3' ' A' ' 40' ' ' GLU . 90.3 t -86.16 123.47 71.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.729 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 175.82 7.56 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -132.63 118.45 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' PHE . 4.4 m120 -66.86 77.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' ASN . 14.1 t80 -34.88 -50.09 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.97 -48.54 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -85.14 -52.75 5.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 20.1 t80 -45.02 -25.54 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -82.57 -43.4 17.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -56.18 -26.65 51.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -33.46 15.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.3 m -69.62 -57.94 4.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.7 t -53.37 -54.76 32.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.872 ' O ' HG23 ' A' ' 58' ' ' THR . 35.2 mm-40 -55.26 -26.6 40.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -79.75 -28.5 40.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -65.25 -49.5 69.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -65.14 -30.02 70.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.872 HG23 ' O ' ' A' ' 54' ' ' GLU . 60.2 p -73.56 -35.5 65.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.1 mtm -63.3 149.02 46.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.2 p -96.69 160.29 14.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.01 -38.98 2.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -55.2 -39.03 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -80.36 -54.31 5.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 65' ' ' SER . 69.3 mttt -51.4 -42.13 61.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -34.95 -53.12 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' HD3' ' CE ' ' A' ' 70' ' ' MET . 0.6 OUTLIER -40.75 -47.15 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -88.11 -24.23 23.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -55.84 -37.9 69.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -75.26 -45.08 42.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.432 ' CE ' ' HD3' ' A' ' 66' ' ' LYS . 20.2 mtm -53.78 -52.83 59.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.18 79.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.074 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -46.75 -46.54 20.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -74.51 -45.06 48.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -41.82 -24.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ALA . 6.7 ttpm? -77.21 -53.94 7.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 p -64.26 -29.31 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -72.37 -45.42 59.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -71.43 -47.1 58.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -45.03 -57.28 3.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.9 mtm105 -53.16 -48.37 68.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -53.22 -36.84 61.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.8 mmt -67.75 -29.35 68.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -69.79 -50.03 47.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.84 -45.95 73.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -53.32 -54.15 40.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 1' ' ' GLY . 72.2 m 35.24 42.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -46.79 120.2 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.94 -122.97 1.23 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -159.21 155.97 28.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 m -97.51 151.8 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.31 -53.28 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.535 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.2 mtt -123.51 136.14 54.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.772 0.32 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.49 105.25 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -83.21 119.91 25.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.4 -175.93 19.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -79.93 148.92 69.43 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.613 0.72 . . . . 0.0 110.829 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -47.77 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -69.09 -46.35 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 11.7 ttpp -48.6 138.43 11.87 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.919 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.9 Cg_endo -69.73 150.06 67.89 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.392 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.6 OUTLIER -127.56 175.33 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.86 149.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -91.07 121.55 32.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.4 mtp -72.58 137.62 46.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.5 m -94.34 157.74 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.24 -43.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -58.06 -59.89 4.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.38 -47.44 13.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.065 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -51.07 -43.5 61.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 34.2 t80 -60.52 -36.58 78.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.5 t -72.29 -39.34 63.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -66.33 -48.52 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.1 m -56.54 -58.48 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.0 m -48.08 -42.23 28.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.588 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 9.5 mtp-105 -58.74 -55.35 36.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -52.47 -41.33 63.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -59.9 -40.79 89.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.5 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 10.8 t60 -59.09 -52.43 65.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' LYS . 23.4 tttt -64.28 -52.08 60.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' LYS . 32.0 mtpt -37.87 -32.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.454 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 9.6 mptt -98.65 -59.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -108.6 74.43 0.54 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -30.54 22.37 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.375 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.75 -29.75 58.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.3 t -87.3 126.28 62.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 155.63 65.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.5 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 2.4 p -111.2 109.87 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' PHE . 10.0 t-20 -64.76 79.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' ASN . 19.1 t80 -37.89 -56.44 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . -37.12 -44.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 49' ' ' SER . 10.8 mm-40 -88.12 -55.46 3.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 7.8 t80 -41.93 -25.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.8 t -81.51 -42.47 20.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -60.1 -28.94 68.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -26.47 25.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.4 ' SG ' ' CE1' ' A' ' 48' ' ' PHE . 36.3 m -77.41 -51.38 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.7 p -51.45 -50.53 59.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 58' ' ' THR . 4.7 mm-40 -61.66 -35.85 79.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -73.38 -14.49 61.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.475 ' CZ2' ' HD3' ' A' ' 64' ' ' LYS . 72.6 t-105 -85.23 -51.49 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -64.38 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 54' ' ' GLU . 74.9 p -72.97 -34.71 66.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.5 mtp -55.48 169.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 63' ' ' GLU . 2.8 m -118.64 143.74 46.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -34.57 -36.0 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' SER . 62.5 tttt -63.12 -46.35 87.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' SER . 29.8 mm-40 -71.53 -36.23 70.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.475 ' HD3' ' CZ2' ' A' ' 56' ' ' TRP . 37.0 mttp -68.0 -28.74 67.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 m -41.37 -43.5 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.423 ' CG ' ' N ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -52.53 -45.2 66.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.423 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 78.6 m-85 -82.42 -17.75 44.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -71.06 -44.35 65.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -66.43 -45.41 79.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.0 mtm -59.06 -42.94 91.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.02 95.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -46.67 -48.49 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.43 94.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -45.94 -44.71 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -61.44 -47.65 84.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.5 t -53.67 -48.66 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 78' ' ' TYR . 5.3 tmm_? -47.31 -53.89 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.434 ' N ' ' HD2' ' A' ' 77' ' ' ARG . 1.4 t80 -52.23 -53.76 39.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -49.62 -57.23 7.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -51.87 -45.23 64.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.89 -29.87 69.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.5 mmt -78.14 -27.0 48.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -62.31 -37.28 84.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.38 -36.56 19.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -68.58 -55.57 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -62.2 -53.24 58.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -86.63 146.43 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.04 70.48 0.12 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -41.9 151.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -67.08 135.74 54.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.46 101.46 0.2 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ttt -91.39 109.59 20.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.342 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.86 104.96 12.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -68.67 -54.56 15.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.6 -111.9 3.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -107.54 142.63 25.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.836 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -26.55 27.23 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.658 2.238 . . . . 0.0 112.336 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 47.48 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -125.36 129.32 24.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.586 0.708 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.497 ' HG2' ' HE1' ' A' ' 82' ' ' MET . 53.8 Cg_endo -69.73 124.49 11.15 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.668 2.246 . . . . 0.0 112.376 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -78.37 148.46 33.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . -50.43 151.18 5.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.439 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -77.53 141.55 39.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 63.1 mtp -90.12 138.68 31.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' ALA . 64.1 m -96.88 156.09 16.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.555 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . . . -33.66 -50.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -55.81 -51.02 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.25 -57.06 9.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -46.98 -42.38 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.468 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 45.9 t80 -62.3 -44.26 96.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.406 HG12 ' HE ' ' A' ' 31' ' ' ARG . 73.1 t -66.02 -52.22 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.168 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -55.62 -44.28 76.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -52.36 -55.95 18.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.8 m -57.05 -34.36 68.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 45.7 mtm180 -66.0 -47.92 72.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -65.13 -41.28 94.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -62.52 -39.71 94.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -63.14 -46.08 88.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -68.08 -33.61 74.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -58.78 -32.32 69.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 1.0 OUTLIER -96.62 -53.17 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.609 ' CB ' HG12 ' A' ' 41' ' ' VAL . 15.0 m-20 -110.93 68.35 0.59 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.588 0.709 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.75 -9.76 26.9 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.674 2.25 . . . . 0.0 112.36 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.59 -25.04 15.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.609 HG12 ' CB ' ' A' ' 38' ' ' ASN . 1.8 p -90.88 136.36 27.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.578 0.704 . . . . 0.0 111.162 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.458 ' HD2' ' CG2' ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.8 174.59 9.33 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 43' ' ' VAL . 4.5 p -140.51 106.31 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' PHE . 7.2 m-20 -69.16 87.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' ASN . 13.7 t80 -37.31 -53.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.47 -55.15 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -74.52 -56.39 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 10.3 t80 -42.38 -32.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.93 -40.37 60.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -32.58 61.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 4.3 pttt -81.29 -31.4 33.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.473 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 60.3 m -76.48 -59.99 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.0 p -45.54 -44.29 12.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.929 ' O ' HG23 ' A' ' 58' ' ' THR . 20.5 mt-10 -69.2 -40.0 78.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -61.21 -32.12 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.425 ' NE1' ' HE2' ' A' ' 64' ' ' LYS . 73.7 t-105 -71.08 -59.71 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -53.73 -29.3 38.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.929 HG23 ' O ' ' A' ' 54' ' ' GLU . 63.4 p -73.45 -24.67 60.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.401 ' SD ' ' HB3' ' A' ' 63' ' ' GLU . 9.1 mmm -48.53 178.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -122.66 30.64 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.42 -64.9 1.37 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -52.07 -21.95 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 38.6 mm-40 -85.97 -32.85 21.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 65' ' ' SER . 92.5 mttt -61.72 -37.91 85.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.1 m -35.62 -51.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 65' ' ' SER . 12.5 tttt -37.47 -47.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 40.4 m-85 -92.63 -28.49 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.555 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 4.0 t70 -56.85 -38.39 72.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.74 -50.64 28.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 30.9 mtm -51.49 -34.56 36.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.04 -45.51 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -46.93 17.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.8 -54.64 24.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -46.96 -41.26 15.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.32 -45.8 92.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.5 t -56.2 -40.18 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -63.39 -53.43 52.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.542 ' CZ ' ' SD ' ' A' ' 82' ' ' MET . 44.8 t80 -59.05 -35.5 73.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.05 -58.13 9.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -63.12 -33.4 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.89 -45.23 94.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.542 ' SD ' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -57.92 -36.63 72.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -61.34 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -60.8 -46.05 92.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -62.28 -68.57 0.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -55.48 133.91 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 m -143.68 126.72 16.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.31 93.26 0.45 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.442 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -158.61 157.54 32.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -82.55 -59.03 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.07 -140.48 14.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -133.14 118.99 19.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.7 173.03 9.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -68.12 170.22 8.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.17 -97.44 0.13 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.522 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.83 144.56 46.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -33.76 16.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -74.18 62.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 15.0 ttpt -159.44 139.83 8.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.551 0.691 . . . . 0.0 110.911 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.6 Cg_endo -69.79 156.11 64.09 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.26 26.12 5.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . 87.15 169.56 45.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -84.09 136.37 34.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.769 0.318 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.486 ' SD ' ' HB1' ' A' ' 24' ' ' ALA . 14.6 mmm -104.88 147.33 27.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -108.4 159.37 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.5 -44.08 35.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.046 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.467 ' HB2' ' NE1' ' A' ' 56' ' ' TRP . 3.5 t80 -56.65 -46.91 80.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -55.3 -59.64 4.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -39.71 -50.19 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -53.21 -41.96 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.6 -51.47 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -52.21 -45.99 65.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -55.34 -52.74 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.5 m -55.78 -37.63 68.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.55 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 18.7 mtp180 -62.35 -53.51 53.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -54.44 -36.58 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -69.05 -33.42 73.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.474 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 11.7 t60 -67.56 -45.3 76.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 35' ' ' LYS . 9.1 tmtt? -70.12 -38.71 75.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -52.92 -26.53 15.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -104.27 -55.56 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.11 73.91 2.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -35.77 12.0 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.2 -33.0 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.44 HG13 ' HD2' ' A' ' 42' ' ' PRO . 77.8 t -82.89 133.4 48.73 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.646 0.736 . . . . 0.0 111.151 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.44 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.73 171.32 14.65 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.709 2.273 . . . . 0.0 112.309 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.612 ' O ' HG13 ' A' ' 43' ' ' VAL . 7.2 p -128.61 101.69 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLU . 27.3 m-20 -60.69 82.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' ASN . 15.2 t80 -35.01 -53.31 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.85 -44.32 14.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' LYS . 7.8 mt-10 -85.04 -59.45 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.55 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 12.1 t80 -38.22 -35.95 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -71.04 -43.56 67.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.5 tppp? -47.51 -35.93 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -82.79 -29.29 29.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 18.1 m -90.01 -66.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 49' ' ' SER . 99.2 p -38.93 -54.45 1.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -57.69 -38.87 75.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' CYS . 37.3 mtt180 -67.04 -17.4 64.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.467 ' NE1' ' HB2' ' A' ' 23' ' ' TYR . 73.4 t-105 -80.6 -55.45 4.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -57.26 -28.95 63.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.934 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.6 p -78.17 -31.4 49.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.3 mtp -61.31 156.59 18.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 m -108.0 157.64 18.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -45.11 -40.82 7.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -57.54 -47.39 82.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -70.53 -51.05 31.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -55.65 -19.81 11.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.7 p -47.86 -48.54 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.485 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 19.1 ptmt -46.77 -44.42 19.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.485 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 85.1 m-85 -85.23 -9.98 57.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -74.86 -52.84 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.94 -39.34 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.4 mtm -61.63 -53.01 61.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.02 -41.84 68.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -47.11 -47.11 23.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.94 -40.21 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.04 -32.71 35.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -66.67 -35.96 81.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.83 -48.75 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -58.74 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.526 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 68.8 t80 -48.97 -47.29 44.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.91 -44.99 87.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -64.32 -40.48 95.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.56 -37.27 82.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.1 mmt -62.27 -29.6 70.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -65.98 -53.65 36.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.74 -46.44 72.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.472 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 7.9 t80 -56.84 -47.64 79.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -70.04 169.47 13.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.4 t -98.12 92.6 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.68 126.9 0.96 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -90.94 -49.6 6.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -139.33 156.16 47.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.4 -101.27 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.8 tpp -68.55 120.46 14.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.88 105.97 14.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -136.62 176.17 8.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.64 -125.54 8.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 4.5 t70 -127.41 140.22 37.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 53.4 Cg_endo -69.83 -35.59 12.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -44.49 -42.95 7.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -59.12 137.2 88.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.611 0.719 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.451 ' CG ' ' SD ' ' A' ' 82' ' ' MET . 53.8 Cg_endo -69.79 171.52 14.36 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 78' ' ' TYR . 67.1 tttt -81.34 123.76 28.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.22 164.29 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.582 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 16.2 mttp -78.4 133.79 37.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 56.4 mtp -117.95 151.78 36.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 m -98.54 153.07 18.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.63 -39.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -63.71 -55.41 23.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.65 -51.74 20.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -46.19 -44.08 15.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -61.2 -48.49 81.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.5 -42.81 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -65.68 -46.92 77.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.7 m -57.36 -53.39 58.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.4 m -54.93 -36.76 65.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.591 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 10.2 mtp-105 -65.06 -54.21 33.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -50.73 -35.6 32.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -68.16 -39.79 82.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.536 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 10.2 t60 -62.24 -50.24 72.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -65.81 -59.05 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' LYS . 40.0 mtpt -34.84 -33.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' LYS . 37.7 mmtt -94.88 -61.81 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -107.79 76.82 0.59 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -32.08 19.26 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.14 -31.88 64.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.2 t -86.3 122.25 72.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 165.5 30.81 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.536 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 3.6 p -121.69 107.59 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' PHE . 1.9 m-20 -60.45 76.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 43' ' ' VAL . 10.5 t80 -35.53 -56.04 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -39.26 -46.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.058 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' SER . 6.1 mt-10 -86.54 -57.46 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.591 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 14.0 t80 -41.04 -24.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.1 t -81.64 -41.98 20.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -57.85 -27.05 62.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -32.99 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.0 m -71.27 -48.64 49.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 p -54.09 -56.52 17.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 58' ' ' THR . 72.8 mt-10 -53.18 -41.62 65.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -61.9 -25.96 67.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -71.56 -45.19 62.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -72.31 -30.13 64.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 54' ' ' GLU . 68.5 p -76.63 -30.25 56.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtp -59.49 167.27 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 61' ' ' GLY . 2.6 t -116.77 150.01 38.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -34.35 -37.45 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 60' ' ' SER . 12.4 mmtp -60.55 -57.27 13.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.713 0.292 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -63.13 -35.36 80.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 65' ' ' SER . 54.6 mttt -67.36 -43.53 81.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 64' ' ' LYS . 2.7 t -35.04 -46.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -40.16 -49.73 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -92.6 -28.97 16.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.58 -27.41 26.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -86.08 -40.32 15.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 26.7 mtm -61.34 -45.83 92.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.1 98.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -52.24 -35.1 48.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -86.01 -42.57 13.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -36.87 -29.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 73' ' ' ALA . 9.0 ttpt -71.76 -52.45 17.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 p -66.4 -36.83 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -63.75 -56.89 12.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 21.4 t80 -62.04 -49.01 77.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -53.93 -50.48 66.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -61.74 -16.74 51.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -95.26 -31.11 13.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.451 ' SD ' ' CG ' ' A' ' 16' ' ' PRO . 79.4 mmm -80.94 -27.63 36.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -68.52 -26.25 65.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -97.03 -27.73 14.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -75.03 -43.84 51.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 m -123.08 110.63 15.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.876 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -119.65 174.82 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.5 172.04 29.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 t -149.26 163.38 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -111.46 161.87 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.97 -52.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.6 ptp -110.76 157.53 19.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.731 0.3 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.26 85.76 3.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.076 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -153.25 148.99 27.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.3 121.37 0.82 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -95.89 153.63 39.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.563 0.697 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -12.76 33.61 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.758 2.305 . . . . 0.0 112.355 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -93.69 -41.93 9.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -93.86 137.64 23.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.6 0.714 . . . . 0.0 110.941 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 159.02 54.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.8 pttp -129.7 22.67 5.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.84 155.14 30.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.444 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HB3' ' CG ' ' A' ' 78' ' ' TYR . 11.3 pttm -110.7 124.32 51.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.528 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 4.9 mtp -83.56 154.91 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.57 178.62 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' HB1' ' HH2' ' A' ' 56' ' ' TRP . . . -49.75 -38.85 35.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -67.43 -50.91 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.528 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -57.2 -53.06 62.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -48.08 -41.12 25.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -63.07 -52.01 64.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.2 -46.18 84.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -60.14 -63.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.8 m -41.75 -44.58 3.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.45 -48.57 79.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.489 ' NH2' ' CD1' ' A' ' 45' ' ' PHE . 16.1 mtt180 -52.6 -49.18 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -61.15 -43.29 99.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -62.58 -16.76 57.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.421 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 5.3 t60 -90.14 -49.53 6.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -67.87 -54.35 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -38.74 -35.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 11.4 mtmm -93.03 -56.78 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -108.97 69.15 0.38 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.449 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.7 Cg_endo -69.74 -14.47 36.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.643 2.229 . . . . 0.0 112.355 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -89.35 -22.8 22.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -95.94 130.72 30.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 173.53 10.81 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.659 2.24 . . . . 0.0 112.368 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' PHE . 2.7 p -134.55 97.87 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -54.36 83.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' VAL . 12.0 t80 -40.01 -55.35 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.5 -42.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -89.19 -61.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 5.1 t80 -39.16 -32.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -47.01 27.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -56.75 -34.2 67.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -80.3 -32.68 38.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 2.5 m -66.99 -43.15 83.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -60.53 -60.06 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 58' ' ' THR . 19.6 mt-10 -51.43 -31.89 24.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.9 mtt-85 -71.39 -28.38 63.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.417 ' HH2' ' HB1' ' A' ' 22' ' ' ALA . 76.8 t-105 -69.65 -46.69 65.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -66.4 -30.91 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 54' ' ' GLU . 80.3 p -77.13 -30.3 55.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.9 mtp -56.18 158.1 4.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -104.12 152.01 22.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.56 -30.75 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -57.47 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -58.79 -28.13 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 65' ' ' SER . 67.6 mttt -77.38 -43.53 32.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 64' ' ' LYS . 31.5 t -35.11 -49.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -37.45 -51.01 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -90.2 -41.21 11.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -41.85 -30.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -88.67 -41.48 12.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.5 mtm -61.67 -22.36 65.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.13 -50.02 17.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.87 -39.7 40.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.63 -53.65 12.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -46.96 -41.7 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -55.84 -45.99 78.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.617 HG12 ' NE ' ' A' ' 80' ' ' ARG . 65.8 t -51.33 -61.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.441 ' HD2' ' CD ' ' A' ' 81' ' ' GLU . 9.1 tpp180 -45.95 -61.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.55 ' CZ ' ' SD ' ' A' ' 82' ' ' MET . 23.4 t80 -50.09 -56.53 10.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.413 ' C ' ' OD1' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -39.63 -60.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.617 ' NE ' HG12 ' A' ' 76' ' ' VAL . 1.2 mpp_? -57.0 -41.43 78.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.441 ' CD ' ' HD2' ' A' ' 77' ' ' ARG . 30.7 mt-10 -59.6 -38.82 82.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.55 ' SD ' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -65.35 -32.11 73.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -71.81 -41.23 68.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.36 -43.13 52.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -73.51 -55.42 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 m -110.91 172.6 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 110.902 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 p -78.64 -44.9 22.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.93 112.92 3.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.527 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -58.75 166.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -149.76 129.46 13.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.5 -143.55 17.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.79 173.16 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.91 108.99 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HE2' ' N ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -70.07 164.02 24.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -49.32 157.88 1.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.31 161.1 31.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.414 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 54.0 Cg_endo -69.7 6.76 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.381 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 63.41 46.83 4.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 27.0 ttpt -93.6 140.1 23.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.56 0.695 . . . . 0.0 110.91 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.498 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 54.2 Cg_endo -69.7 113.62 3.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -102.26 87.01 2.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.514 ' HA2' ' CZ ' ' A' ' 78' ' ' TYR . . . 41.66 -163.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 8.3 mtmp? -114.24 134.79 54.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.6 mtp -85.6 136.31 33.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 m -99.83 152.54 20.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.65 -46.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -50.02 -57.92 6.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.37 -57.27 4.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.092 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 70' ' ' MET . 26.3 m-85 -40.93 -48.86 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -54.48 -43.11 71.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.94 -52.68 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -55.95 -61.04 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 m -49.39 -50.34 40.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.5 m -53.54 -40.8 65.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -61.45 -52.68 63.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -29.85 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -69.76 -45.19 68.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -62.33 -43.55 98.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -73.08 -43.61 61.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.41 -30.55 8.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -99.32 -47.54 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.571 ' CB ' HG12 ' A' ' 41' ' ' VAL . 18.8 m-20 -115.07 66.38 1.96 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.642 0.734 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -5.58 16.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -102.51 -21.65 14.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.571 HG12 ' CB ' ' A' ' 38' ' ' ASN . 1.8 p -93.7 136.73 23.68 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.476 ' HD2' HG22 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.78 171.19 14.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.366 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 45' ' ' PHE . 2.2 p -141.59 106.33 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' PHE . 2.8 m120 -59.64 79.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' VAL . 29.5 t80 -35.51 -53.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.42 -44.71 17.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' ASN . 3.3 mm-40 -80.92 -58.28 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 5.7 t80 -41.06 -31.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 t -79.06 -43.13 24.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -29.42 64.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -83.27 -31.64 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.875 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' ARG . 2.0 m -65.26 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 55.2 p -43.24 -44.27 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.564 ' O ' HG23 ' A' ' 58' ' ' THR . 5.6 mm-40 -67.86 -29.35 68.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' CYS . 26.4 mtp85 -82.54 -19.64 38.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -76.18 -55.63 5.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -31.41 68.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 54' ' ' GLU . 69.1 p -76.48 -31.57 57.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mtp -55.64 164.14 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -105.67 149.3 26.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -38.81 -39.98 0.97 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -61.63 -49.26 77.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -59.74 -36.99 77.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -74.4 -32.72 62.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -39.82 -57.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 14.6 ptmt -46.17 -41.5 12.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.43 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 78.7 m-85 -83.3 -17.95 40.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -67.97 -53.63 24.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.91 -43.74 91.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.495 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 75.2 mtm -57.64 -45.35 85.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.471 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . . . -61.85 -41.53 97.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.534 ' O ' HG23 ' A' ' 76' ' ' VAL . 9.3 mtpm? -49.5 -44.76 46.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.33 -43.77 89.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.42 -21.2 66.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.97 -28.48 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.9 t -84.65 -41.78 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -30.29 66.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.541 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 70.1 t80 -76.88 -52.72 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -47.82 -40.61 21.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -75.1 -51.04 14.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -48.17 -38.4 18.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.9 mmt -66.96 -36.22 81.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -62.62 -40.57 97.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -81.29 -40.54 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -65.5 -55.67 16.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.443 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p -84.71 42.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.821 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m 45.28 42.14 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.26 175.77 19.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.492 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -157.12 156.75 33.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.885 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -146.88 156.93 43.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.59 -39.87 2.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 ptm -80.08 158.46 26.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.13 120.59 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -88.46 169.47 11.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.88 -94.46 0.11 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -92.32 146.22 32.15 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.719 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -40.6 5.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.308 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -65.55 -37.37 86.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.567 ' CG ' ' CZ ' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -46.79 137.7 7.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.874 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.576 ' HB2' ' CD1' ' A' ' 78' ' ' TYR . 53.8 Cg_endo -69.78 147.29 62.4 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.349 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' GLY . 2.0 pttm -92.2 132.81 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -35.72 141.74 0.15 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -65.81 136.88 56.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.42 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 12.4 mtm -112.55 161.07 17.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ALA . 35.2 m -99.67 150.96 21.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -34.2 -41.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' HB2' ' NE1' ' A' ' 56' ' ' TRP . 4.4 t80 -58.32 -63.05 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -39.7 -58.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -41.15 -53.17 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -50.81 -48.66 59.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.11 -54.13 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -54.88 20.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.0 m -48.12 -49.04 33.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.0 m -55.01 -48.2 73.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.544 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 9.3 mtp-105 -54.61 -49.23 70.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -59.84 -42.36 93.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -58.25 -23.95 57.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -85.48 -57.12 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' CD ' ' HA ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -54.85 -45.61 74.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -44.41 -38.03 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 23.9 mtpt -93.05 -58.3 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.436 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 3.6 m-80 -108.68 69.62 0.37 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.583 0.706 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.492 ' HA ' ' CD ' ' A' ' 35' ' ' LYS . 53.6 Cg_endo -69.74 -9.16 25.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -113.48 29.44 7.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 42' ' ' PRO . 99.5 t -128.89 138.85 34.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.729 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.69 143.36 50.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.642 ' O ' HG13 ' A' ' 43' ' ' VAL . 7.4 p -131.58 91.58 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' PHE . 2.7 m-20 -54.5 84.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 43' ' ' VAL . 30.5 t80 -35.94 -48.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.47 -52.72 12.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -75.55 -48.67 21.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CD2' ' HE3' ' A' ' 51' ' ' LYS . 4.4 t80 -52.19 -29.11 20.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t -76.79 -45.49 28.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.34 -31.88 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.584 ' HE3' ' CD2' ' A' ' 48' ' ' PHE . 12.2 pttt -83.4 -32.46 26.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 69.5 m -79.5 -62.99 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.7 p -41.43 -53.75 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.634 ' O ' HG23 ' A' ' 58' ' ' THR . 7.1 mm-40 -59.36 -35.04 73.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -71.88 -15.26 62.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.441 ' NE1' ' HB2' ' A' ' 23' ' ' TYR . 70.3 t-105 -78.41 -37.46 43.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -33.06 54.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 54' ' ' GLU . 33.9 p -72.1 -33.41 67.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.2 mtp -54.33 168.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' GLY . 3.1 m -116.81 148.3 41.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -36.28 -37.91 0.22 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.497 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -60.24 -60.48 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.299 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -60.27 -34.93 74.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 65' ' ' SER . 63.6 mttt -66.09 -44.04 85.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.4 t -35.36 -46.3 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -39.99 -49.13 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -92.42 -30.07 15.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.414 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 6.2 t0 -53.51 -38.43 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -75.82 -43.14 47.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 61.6 mtm -58.3 -47.04 84.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.81 -51.95 67.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -45.78 -38.39 7.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.22 -48.01 31.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.425 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 29.9 t0 -38.73 -42.59 0.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -58.41 -52.89 63.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.5 t -57.53 -52.4 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.2 tmm_? -55.36 -49.48 72.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.576 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 43.7 t80 -64.08 -36.94 85.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.34 -38.69 91.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -76.8 -21.48 55.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -85.76 -10.23 55.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.5 mmt -92.77 -26.14 17.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -64.03 -21.18 66.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -102.45 -35.87 8.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.567 ' CZ ' ' CG ' ' A' ' 15' ' ' LYS . 5.0 t80 -73.13 -39.89 65.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t -62.4 133.17 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.0 p -87.38 95.09 9.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.43 -165.79 12.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -67.84 172.49 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -96.52 -52.12 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.98 46.12 0.31 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 mtt -131.47 130.8 42.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.08 132.73 33.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.44 -47.6 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.77 -171.82 13.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.16 145.31 66.54 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.826 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -1.07 7.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.353 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -82.58 -25.56 33.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.553 ' HG2' ' CE2' ' A' ' 85' ' ' TYR . 15.5 mtpp -74.92 158.07 84.9 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.619 0.724 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 140.97 44.0 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 2.268 . . . . 0.0 112.368 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.61 144.74 29.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.86 140.47 9.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 78' ' ' TYR . 17.3 mttm -63.41 136.53 57.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.424 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 13.6 mtm -106.68 160.09 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.5 m -111.48 163.72 13.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.821 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . . . -37.75 -54.09 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CE1' ' SG ' ' A' ' 52' ' ' CYS . 92.8 t80 -51.12 -46.25 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -57.59 -58.44 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -47.89 -42.6 27.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' HD1' ' CE2' ' A' ' 67' ' ' PHE . 58.2 t80 -60.87 -26.92 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.546 HG12 ' HE ' ' A' ' 31' ' ' ARG . 75.2 t -83.52 -55.01 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -54.67 -55.47 29.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.2 m -46.73 -57.43 4.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -56.13 -42.17 76.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.546 ' HE ' HG12 ' A' ' 27' ' ' VAL . 46.2 mtm180 -57.79 -51.97 67.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -53.15 -40.16 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.05 -35.27 79.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -61.91 -40.94 97.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -73.99 -44.03 56.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -36.03 32.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 46.8 mttm -95.2 -56.21 2.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -110.23 68.05 0.5 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.74 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.45 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.74 -17.96 37.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.385 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HG3' HG23 ' A' ' 41' ' ' VAL . 7.4 pt-20 -80.55 -38.72 29.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.485 HG23 ' HG3' ' A' ' 40' ' ' GLU . 60.8 t -82.96 127.81 68.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.74 59.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.39 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 43' ' ' VAL . 2.6 p -111.05 104.59 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 47' ' ' GLU . 2.1 m-20 -70.75 88.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' ASN . 14.1 t80 -35.82 -45.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.53 -46.67 63.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' ASN . 15.4 mm-40 -80.72 -52.66 7.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.501 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 4.4 t80 -48.66 -37.33 18.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -75.9 -45.92 32.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -31.48 63.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -24.62 41.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.584 ' SG ' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -67.71 -62.03 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.7 t -37.77 -54.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.822 ' O ' HG23 ' A' ' 58' ' ' THR . 4.5 mm-40 -64.71 -31.75 73.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 52' ' ' CYS . 56.1 mtt180 -76.1 -19.14 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.524 ' CD1' ' HE2' ' A' ' 64' ' ' LYS . 64.0 t-105 -84.97 -55.62 3.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -56.97 -28.59 62.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 54' ' ' GLU . 75.1 p -75.6 -21.04 58.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.3 mmm -48.02 176.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.9 m -118.73 26.2 9.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.81 -57.53 2.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -58.79 -24.39 61.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -81.07 -31.31 34.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.524 ' HE2' ' CD1' ' A' ' 56' ' ' TRP . 83.2 mttt -67.48 -46.65 72.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' LYS . 14.9 m -37.73 -47.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' SER . 7.1 ttpp -37.25 -49.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.4 ' CE2' ' HD1' ' A' ' 26' ' ' PHE . 20.0 m-85 -91.2 -40.19 11.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.821 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 1.7 t70 -46.38 -38.11 8.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -77.18 -47.73 19.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.4 mtm -50.32 -40.64 49.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.3 -53.11 54.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -42.22 -38.79 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.44 -48.81 16.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.1 OUTLIER -38.45 -42.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 16.2 ttmm -56.63 -52.14 66.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 83.7 t -56.83 -41.84 76.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -46.51 73.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 1.1 t80 -57.32 -53.69 55.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -45.28 -45.02 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -64.88 -51.49 61.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -50.46 -40.18 50.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.3 mmt -61.75 -37.83 85.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -69.7 -30.19 67.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.23 -47.92 13.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CE2' ' HG2' ' A' ' 15' ' ' LYS . 5.9 t80 -68.11 -50.34 55.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.447 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 p -89.73 -54.46 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.885 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 m -49.08 164.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.98 146.9 14.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 t -80.52 148.81 30.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.369 . . . . 0.0 110.86 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -57.89 -51.34 70.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.83 -173.12 33.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.94 134.38 35.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 0.0 110.828 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.02 163.28 24.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.4 137.3 52.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -42.63 105.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.423 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 9.0 t0 -59.41 140.62 88.3 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 53.9 Cg_endo -69.8 -90.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -109.14 -8.27 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -77.77 150.86 79.2 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.577 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 53.2 Cg_endo -69.74 122.84 9.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.642 2.228 . . . . 0.0 112.317 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -99.05 -1.84 38.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.552 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . 128.73 -171.87 19.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.562 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 29.6 mtmt -121.04 141.92 50.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.1 mtm -131.77 157.97 42.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.1 m -101.15 155.56 17.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.44 -40.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -62.04 -58.93 6.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.21 -45.3 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -52.72 -44.07 66.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -61.8 -49.63 75.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -61.97 -41.13 89.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -65.05 -45.79 83.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.4 m -52.92 -57.74 9.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.7 t -52.78 -42.53 65.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 22.3 mtm180 -57.8 -52.27 66.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.3 -35.55 62.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.88 -30.21 65.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -70.23 -38.59 75.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -74.39 -28.84 61.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -64.7 -30.31 71.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 3.7 mmmp? -100.87 -51.37 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -111.59 68.59 0.76 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.8 Cg_endo -69.79 -25.37 28.54 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -105.23 32.49 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.641 HG13 ' HD2' ' A' ' 42' ' ' PRO . 86.7 t -134.61 138.4 29.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.592 0.71 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.641 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.8 155.11 66.64 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 43' ' ' VAL . 4.8 p -132.64 97.26 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' PHE . 37.3 m-20 -58.51 85.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' VAL . 9.4 t80 -37.84 -52.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.91 -46.03 3.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 50' ' ' LYS . 11.6 mt-10 -83.44 -57.99 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 5.2 t80 -40.33 -31.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.36 -45.14 56.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 47' ' ' GLU . 6.6 tppt? -51.07 -35.53 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HE2' ' CD2' ' A' ' 48' ' ' PHE . 1.8 pttm -78.71 -26.3 44.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.9 m -88.01 -66.11 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.9 p -42.29 -56.02 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 58' ' ' THR . 14.4 mt-10 -53.87 -33.39 56.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.0 mtt85 -75.79 -29.61 58.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.439 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 74.7 t-105 -65.67 -29.99 70.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -86.6 -33.37 20.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 54' ' ' GLU . 72.9 p -75.06 -15.36 60.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.5 mtp -74.69 165.54 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.8 m -112.54 154.88 25.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.04 -35.36 1.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -64.35 -43.54 94.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.717 0.294 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -73.32 -35.62 66.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 63.1 mttt -70.52 -41.17 72.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.7 m -35.05 -48.1 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -39.33 -49.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -90.78 -30.58 16.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -49.26 -36.77 21.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.4 -45.61 37.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 69.2 mtm -58.27 -40.69 82.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.89 -43.16 89.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -58.7 -26.35 63.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.0 -23.34 18.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -24.17 66.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -81.01 -43.24 19.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.37 -34.55 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.499 ' NE ' ' OE2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -65.88 -55.32 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 16' ' ' PRO . 53.9 t80 -58.75 -40.9 85.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.68 -51.27 70.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -66.49 -24.52 66.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.499 ' OE2' ' NE ' ' A' ' 77' ' ' ARG . 56.3 mt-10 -82.12 -21.42 36.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.3 mmt -85.59 -28.2 24.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -24.93 62.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -96.27 -26.04 15.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -83.12 -40.72 19.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HG3' ' CD1' ' A' ' 78' ' ' TYR . 31.9 mtmm -70.39 134.02 47.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.8 mtp -108.65 148.89 29.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -105.88 158.67 16.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.47 -47.14 3.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -50.99 -62.21 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.35 -54.01 3.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -44.97 -49.94 10.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -53.9 -44.86 70.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.4 t -66.92 -49.03 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -61.5 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.5 m -46.22 -41.68 13.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.19 -40.6 96.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.579 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 8.9 mtp-105 -63.97 -55.55 21.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -48.59 -37.75 18.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.74 -38.55 80.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -62.44 -36.2 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HD3' ' C ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -73.15 -33.79 65.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -58.65 -33.92 70.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.446 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 2.5 mmmm -97.6 -54.03 3.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.416 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 2.0 m-80 -110.29 67.81 0.5 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.2 Cg_endo -69.82 -23.79 30.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.54 31.36 5.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 42' ' ' PRO . 95.2 t -129.08 138.85 34.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.671 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.78 148.97 66.1 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 43' ' ' VAL . 7.7 p -132.57 98.79 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' PHE . 19.7 t30 -63.84 87.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' ASN . 15.3 t80 -37.3 -43.61 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.58 -52.21 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.076 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.79 -53.06 9.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 21.3 t80 -45.37 -40.24 7.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -69.94 -43.81 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.17 -33.59 41.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 8.4 ptpt -84.12 -31.14 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 85.0 m -76.48 -62.73 1.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -44.72 -48.18 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 58' ' ' THR . 12.3 mm-40 -61.68 -28.69 69.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -80.1 -17.62 52.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.404 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 74.1 t-105 -80.46 -40.28 26.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -73.97 -33.1 63.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 54' ' ' GLU . 69.8 p -77.47 -13.78 59.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.8 mtp -71.87 157.14 38.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 63' ' ' GLU . 1.8 t -102.8 143.45 32.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -35.72 -36.94 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -61.94 -46.78 87.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.692 0.282 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 60' ' ' SER . 5.5 mp0 -67.28 -44.72 78.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 70.7 mttt -60.32 -25.3 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -44.66 -53.98 6.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.489 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 14.2 ptmt -45.5 -40.53 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.489 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 78.5 m-85 -89.37 -13.0 38.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -75.77 -45.5 35.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -60.89 -40.98 95.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.4 mtm -66.26 -57.7 6.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.817 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.45 -48.79 68.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -49.28 -33.62 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.68 -19.48 27.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -73.63 -17.26 61.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -88.38 -33.39 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 p -80.15 -33.38 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -69.04 -49.5 56.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.457 ' CD1' ' HG3' ' A' ' 19' ' ' LYS . 57.3 t80 -63.04 -42.56 99.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -56.1 -47.09 78.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 mtm105 -65.88 -39.54 90.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.66 -39.05 83.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.0 mmt -63.42 -32.7 74.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -58.96 -45.46 90.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.53 -38.85 54.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -64.43 -61.15 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.54 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -112.66 116.21 29.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.744 0.307 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.432 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 3.6 mtm -99.82 158.18 15.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 22' ' ' ALA . 7.0 m -110.08 159.21 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -36.32 -47.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.072 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -53.95 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.43 -43.6 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.114 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -53.9 -43.59 69.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -61.77 -47.67 84.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.26 -41.81 88.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -64.72 -48.93 72.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.1 m -53.92 -53.53 51.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.4 t -53.72 -41.05 66.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.593 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 14.8 mtt180 -60.51 -42.74 97.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -60.26 -43.6 96.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -59.28 -30.56 68.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -67.57 -63.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -41.76 -58.09 2.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.81 -33.98 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 33.5 mmtm -91.16 -61.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.46 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 6.1 m-80 -109.38 70.51 0.47 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.71 -14.88 36.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.381 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -113.48 24.96 11.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.587 HG13 ' HD2' ' A' ' 42' ' ' PRO . 57.9 t -128.99 137.68 31.54 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.663 0.744 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.587 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.4 Cg_endo -69.75 163.52 37.96 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.36 104.96 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -68.5 91.68 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -40.1 -53.05 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.72 -38.64 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -89.88 -58.31 2.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.593 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 23.2 t80 -41.72 -33.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.64 -44.39 57.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.27 -29.66 6.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 3.9 ptpp? -88.98 -30.75 18.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 80.4 m -73.46 -64.19 1.04 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.3 p -44.58 -49.56 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 58' ' ' THR . 15.2 mm-40 -59.82 -27.28 66.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' CYS . 27.5 mtt180 -80.83 -21.62 40.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -76.43 -40.9 49.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -73.74 -29.2 62.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 54' ' ' GLU . 72.8 p -78.13 -30.33 49.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.9 mtp -62.17 152.23 33.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 p -95.93 151.85 19.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -38.62 -32.35 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -60.03 3.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -55.48 -36.35 66.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 65' ' ' SER . 73.6 mttt -67.26 -43.18 82.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' LYS . 5.8 t -35.83 -49.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' SER . 12.5 tttt -37.64 -50.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -89.15 -26.72 21.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' CB ' ' HA ' ' A' ' 65' ' ' SER . 6.9 t0 -53.32 -41.42 65.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -72.81 -43.73 62.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 72.6 mtm -59.88 -38.14 81.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.35 -47.48 76.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -53.98 -23.04 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.67 -14.92 18.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.08 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 20' ' ' MET . 4.4 t70 -65.72 -23.27 66.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -83.38 -45.07 14.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p -74.7 -32.22 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.408 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.1 tmm_? -70.35 -40.11 74.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.54 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 88.5 t80 -68.84 -45.75 70.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.987 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -50.03 -51.54 41.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -60.69 -37.8 82.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.15 -44.49 94.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.505 ' SD ' ' CZ ' ' A' ' 78' ' ' TYR . 63.6 mmm -60.95 -33.87 73.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -53.19 -38.04 62.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.89 -45.77 26.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -60.05 -58.69 7.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.442 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.504 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 31.8 mtmm -108.83 135.68 49.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.5 mtp -112.71 130.94 55.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' ALA . 26.3 m -86.04 154.06 21.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -36.14 -44.07 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -57.75 -57.77 11.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.56 -55.11 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -43.06 -48.68 6.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -55.95 -50.13 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.463 HG22 ' HB3' ' A' ' 52' ' ' CYS . 67.9 t -59.1 -40.72 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -65.02 -48.35 74.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.534 HG22 ' OE1' ' A' ' 33' ' ' GLU . 33.1 m -58.93 -52.71 64.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.4 m -52.16 -40.85 62.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.59 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 16.3 mtp180 -59.59 -51.54 69.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -57.81 -39.02 76.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.534 ' OE1' HG22 ' A' ' 29' ' ' THR . 20.6 mt-10 -66.66 -31.19 71.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -71.87 -42.21 67.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -52.68 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.6 -27.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.429 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 18.4 mtpp -100.25 -56.4 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -108.73 70.66 0.4 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.74 -22.75 31.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -85.56 -23.25 27.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.0 t -94.07 131.23 32.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.662 0.744 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 179.79 3.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.0 p -140.05 109.35 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' GLU . 24.8 m-20 -67.13 81.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 44' ' ' ASN . 13.7 t80 -34.53 -53.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.45 -45.34 9.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' ASN . 8.8 mm-40 -84.2 -56.21 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.59 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 30.8 t80 -40.49 -33.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t -78.01 -41.93 34.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -55.57 -29.18 58.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -92.04 -34.25 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.463 ' HB3' HG22 ' A' ' 27' ' ' VAL . 13.5 m -64.71 -36.27 83.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 m -69.97 -53.77 16.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.732 ' O ' HG23 ' A' ' 58' ' ' THR . 11.1 mm-40 -58.45 -27.56 64.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -73.46 -32.73 64.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -65.73 -49.98 66.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -65.23 -38.11 89.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.732 HG23 ' O ' ' A' ' 54' ' ' GLU . 82.2 p -71.06 -32.83 69.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.3 mtp -52.43 159.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' GLY . 8.4 t -100.62 143.62 30.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -34.49 -41.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -58.76 -55.4 35.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.736 0.303 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -58.62 -34.08 70.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 65' ' ' SER . 68.5 mttt -69.92 -45.22 67.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' LYS . 68.1 m -36.13 -47.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -41.61 -47.65 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -92.37 -24.75 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -59.84 -25.39 64.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -87.15 -37.36 17.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 34.6 mtm -65.68 -49.94 66.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.96 -48.95 74.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -46.22 -40.92 12.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.85 -13.63 41.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.064 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -76.05 -20.86 57.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -87.08 -36.32 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 p -80.78 -34.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -44.44 81.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 88.9 t80 -62.98 -47.61 82.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -46.89 -55.85 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -63.23 -36.91 85.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.36 -38.96 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 mmt -71.98 -24.27 61.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -72.59 -37.65 68.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.39 -41.08 20.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -63.64 -52.55 60.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.551 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -60.82 133.79 56.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 75.6 mtp -81.47 163.2 22.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 22' ' ' ALA . 37.1 m -118.66 153.12 34.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -34.04 -52.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -55.93 -63.16 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.03 -45.46 7.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.049 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -55.04 -38.59 68.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -65.1 -42.19 94.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.13 -41.1 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -67.14 -51.63 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.3 m -49.82 -52.17 34.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 m -58.24 -37.27 74.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.406 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 23.6 mtm180 -62.89 -48.72 77.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -55.39 -40.58 71.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -68.24 -35.24 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.421 ' NE2' ' HB ' ' A' ' 43' ' ' VAL . 17.7 t60 -65.2 -39.84 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -73.87 -44.95 53.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -53.33 -36.5 61.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 36.3 mttp -93.45 -57.03 2.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.42 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 12.1 m-80 -109.24 68.87 0.4 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.451 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.7 Cg_endo -69.75 -28.11 25.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.334 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.41 37.06 2.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.528 HG13 ' HD2' ' A' ' 42' ' ' PRO . 93.0 t -132.99 135.45 25.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 111.143 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.528 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.74 141.96 46.75 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 43' ' ' VAL . 7.5 p -124.46 101.59 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 47' ' ' GLU . 2.2 m-20 -57.04 80.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' VAL . 6.8 t80 -35.68 -60.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.71 -40.71 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' ASN . 12.2 mt-10 -83.63 -63.0 1.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.406 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 3.1 t80 -42.36 -24.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -85.62 -43.31 13.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -52.7 -29.29 25.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -37.21 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.3 m -60.6 -54.67 42.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.2 p -56.63 -59.95 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 58' ' ' THR . 5.7 mm-40 -50.32 -32.03 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -70.8 -30.2 66.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -68.97 -57.65 5.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -56.28 -35.51 67.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 54' ' ' GLU . 82.1 p -72.21 -33.65 67.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.3 mtp -56.87 170.51 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.7 t -106.91 165.76 11.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.07 -41.95 30.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.474 ' N ' ' HE3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.27 -54.5 36.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.748 0.308 . . . . 0.0 110.96 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -51.67 -33.23 32.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' SER . 78.5 mttt -80.33 -36.67 33.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 68' ' ' ASP . 3.5 t -37.88 -57.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.465 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 18.5 ptmt -41.24 -44.12 2.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.465 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 86.7 m-85 -82.29 -21.02 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' SER . 14.5 t0 -66.38 -58.25 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -49.92 -43.88 50.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.3 mtm -57.24 -52.85 63.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.6 91.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -44.01 -46.69 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.23 -46.27 64.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -49.95 -44.81 50.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.15 -47.78 77.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.2 t -55.02 -52.09 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -51.35 -59.28 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.551 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 44.3 t80 -50.98 -49.81 59.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -46.28 -55.64 6.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -57.54 -44.21 84.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.0 -19.44 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.6 mmt -82.68 -34.25 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -62.77 -47.96 81.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -68.49 -44.44 74.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -56.0 -63.09 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 38.6 mtmt -76.0 130.97 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 68.9 mtp -101.84 140.14 36.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' ALA . 49.6 m -98.51 148.87 23.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -34.26 -47.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.085 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -56.03 -54.61 42.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.77 -48.35 66.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -48.44 -42.01 31.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -61.91 -51.47 68.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.3 t -58.99 -46.34 91.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -62.57 -56.33 18.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 90.4 m -51.13 -50.6 58.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.38 -40.11 67.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 34.4 mtp180 -61.42 -52.6 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -56.15 -37.98 70.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -63.28 -38.46 91.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -65.06 -57.26 9.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -58.18 -47.55 83.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -47.17 -31.63 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -93.76 -60.56 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.624 ' HB2' HG12 ' A' ' 41' ' ' VAL . 11.0 m-80 -108.16 70.41 0.35 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.671 0.748 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.3 Cg_endo -69.73 -6.28 18.21 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.388 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -100.02 -21.8 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.624 HG12 ' HB2' ' A' ' 38' ' ' ASN . 1.8 p -94.89 136.7 22.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.612 0.72 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.477 ' HD2' HG22 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.76 172.24 13.0 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 43' ' ' VAL . 7.4 p -138.94 105.33 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' PHE . 35.4 t-20 -61.48 76.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' VAL . 29.4 t80 -34.52 -53.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.85 -50.92 5.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 49' ' ' SER . 6.5 mt-10 -79.12 -55.68 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 1.7 t80 -42.22 -23.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.1 t -83.67 -48.68 9.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -55.59 -21.01 15.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.419 ' HD3' ' CD ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -91.98 -30.73 15.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.22 -51.22 12.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.6 p -49.98 -61.02 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.626 ' O ' HG23 ' A' ' 58' ' ' THR . 18.3 mt-10 -52.79 -36.98 59.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.419 ' CD ' ' HD3' ' A' ' 51' ' ' LYS . 8.8 mtp85 -65.6 -25.73 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.479 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 72.1 t-105 -72.19 -39.81 68.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -76.68 -30.61 56.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 54' ' ' GLU . 69.5 p -77.75 -31.73 52.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.3 mtp -56.34 169.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.8 t -113.6 152.33 30.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -43.39 -31.09 1.44 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -67.76 -48.4 66.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.706 0.289 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -71.11 -29.0 64.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 66.3 mttt -72.61 -44.17 62.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' LYS . 69.6 m -35.52 -43.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -42.38 -49.83 5.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -91.89 -31.44 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -51.99 -38.78 57.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.46 -44.22 52.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 60.3 mtm -57.82 -47.41 82.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.14 -52.22 65.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.446 ' O ' HG23 ' A' ' 76' ' ' VAL . 23.4 mmtm -43.7 -42.8 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.48 -42.26 62.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.055 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -56.67 -43.83 80.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -62.53 -31.41 72.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 72' ' ' LYS . 95.1 t -77.71 -54.9 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.421 ' HD3' ' C ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -49.52 -35.23 19.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 28.3 t80 -68.43 -55.74 10.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -41.73 -46.76 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 10.3 mtp-105 -63.03 -42.38 99.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -60.82 -38.61 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.6 mmt -63.8 -34.33 77.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -54.08 -55.02 31.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.49 -46.2 73.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -50.72 -59.98 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -76.21 134.31 39.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.0 mtm -124.36 165.35 17.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.8 m -108.27 158.66 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . . . -40.78 -41.69 1.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -57.3 -56.85 16.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.35 -59.28 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -38.69 -49.09 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -55.29 -46.99 76.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.432 HG13 ' HE1' ' A' ' 48' ' ' PHE . 95.9 t -66.76 -49.11 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -51.92 65.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 90.7 m -54.85 -43.89 73.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.7 m -60.75 -37.06 80.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.53 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 8.1 mtp-105 -63.03 -48.95 76.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -57.02 -42.46 80.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.56 -39.91 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.412 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 11.8 t60 -64.64 -64.54 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -51.42 -40.22 58.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -51.43 -37.19 47.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 1.2 mptm? -94.52 -58.8 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -108.07 70.53 0.34 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.665 0.745 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.448 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.2 Cg_endo -69.81 -25.83 27.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG3' HG23 ' A' ' 41' ' ' VAL . 9.0 pt-20 -77.98 -29.48 49.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.615 HG13 ' HD2' ' A' ' 42' ' ' PRO . 91.3 t -88.84 137.53 29.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.615 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.72 170.07 17.4 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 43' ' ' VAL . 6.6 p -131.55 92.29 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -53.73 85.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' VAL . 9.9 t80 -38.35 -48.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.03 -47.63 16.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -81.69 -55.19 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.53 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 16.7 t80 -40.92 -38.01 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.76 -46.46 53.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.94 -33.08 10.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -83.12 -31.22 27.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 55' ' ' ARG . 56.1 m -84.57 -65.1 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . 18.9 p -36.72 -49.09 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.64 -38.47 91.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 52' ' ' CYS . 10.5 mtp180 -68.38 -18.31 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -78.29 -40.36 37.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -75.74 -33.33 60.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.2 p -79.35 -5.12 53.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.5 mtp -82.52 156.32 24.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 73.3 m -93.78 162.24 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.39 -35.75 36.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -65.69 -52.05 54.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.14 -39.61 69.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -72.0 -32.41 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 68' ' ' ASP . 19.3 t -40.99 -54.21 2.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 67' ' ' PHE . 16.5 ptmt -43.52 -44.77 6.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.412 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 63.4 m-85 -84.87 -18.59 34.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.423 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 16.0 t0 -68.18 -48.58 64.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -62.99 -38.62 91.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.0 mtm -65.13 -47.91 75.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.33 70.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -48.15 -50.33 29.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.3 -51.99 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.055 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -42.86 -41.41 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -60.84 -43.25 98.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.8 t -70.85 -56.0 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.44 ' O ' ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -47.81 -36.2 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.503 ' CE2' ' HG3' ' A' ' 82' ' ' MET . 24.0 t80 -73.51 -49.29 27.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.25 -47.23 18.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -74.77 -53.89 8.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.465 ' CA ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -45.92 -40.08 9.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.503 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 87.6 mmm -75.82 -27.35 57.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -69.35 -26.54 64.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -92.2 -34.88 14.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -64.88 -47.95 75.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -77.98 141.6 38.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.445 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 6.6 mtm -98.2 163.06 12.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 24' ' ' ALA . 49.1 m -104.77 150.53 24.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' CA ' ' HB2' ' A' ' 71' ' ' ALA . . . -36.11 -45.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -56.35 -44.19 79.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 21' ' ' SER . . . -56.77 -54.47 45.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -45.08 -40.37 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.71 -43.28 99.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -66.97 -46.51 84.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -56.37 -41.9 76.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.7 m -64.23 -53.09 54.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.5 t -51.77 -38.68 56.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -63.13 -55.12 27.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -35.4 61.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -64.43 -41.73 96.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -62.01 -44.86 95.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -66.13 -39.24 89.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -48.8 -35.0 13.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 5.3 mptp? -96.94 -54.81 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -109.61 70.06 0.48 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.632 0.729 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.411 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.6 Cg_endo -69.71 -15.14 37.11 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.272 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.02 32.9 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 42' ' ' PRO . 99.4 t -134.37 138.96 31.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.596 0.712 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.82 153.51 68.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.292 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.581 ' O ' HG13 ' A' ' 43' ' ' VAL . 6.0 p -132.17 93.88 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' PHE . 14.7 m-20 -52.52 86.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' VAL . 7.2 t80 -34.44 -46.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.41 -59.65 3.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.067 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -65.99 -53.41 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.59 ' CE2' ' SG ' ' A' ' 52' ' ' CYS . 70.3 t80 -44.24 -64.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.65 -46.55 7.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -49.13 -37.15 21.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -77.69 -28.64 51.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.59 ' SG ' ' CE2' ' A' ' 48' ' ' PHE . 4.4 m -80.79 -65.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.1 p -44.68 -51.44 9.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.881 ' O ' HG23 ' A' ' 58' ' ' THR . 11.5 mt-10 -57.13 -30.99 64.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -78.53 -25.7 45.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -66.4 -47.49 73.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -68.78 -33.47 73.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.881 HG23 ' O ' ' A' ' 54' ' ' GLU . 33.0 p -73.04 -32.57 65.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.4 mtp -58.79 160.5 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.8 m -109.99 157.45 19.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -45.88 -33.98 5.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 10.7 ptpp? -63.37 -44.08 95.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 37.9 mm-40 -78.74 -31.35 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' SER . 60.7 mttt -71.03 -40.47 71.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 64' ' ' LYS . 13.9 m -35.7 -45.51 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -43.55 -47.98 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -90.26 -28.6 18.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -52.23 -42.94 64.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -66.74 -52.22 46.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.0 mtm -51.87 -38.25 55.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.416 ' HB2' ' CA ' ' A' ' 22' ' ' ALA . . . -67.89 -47.71 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -42.66 -35.29 1.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.02 -35.76 16.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.1 OUTLIER -45.12 -43.03 9.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 17.7 ttpt -69.32 -45.04 70.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.469 HG13 ' HD3' ' A' ' 80' ' ' ARG . 86.1 t -58.53 -44.4 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -55.59 -61.11 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 81' ' ' GLU . 34.4 t80 -64.07 -57.78 8.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' TYR . 27.4 t70 -36.62 -59.87 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.469 ' HD3' HG13 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -59.41 -33.35 71.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 78' ' ' TYR . 21.2 mm-40 -70.19 -29.76 66.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.2 mmt -72.74 -29.81 63.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -61.94 -41.39 97.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.78 -45.56 57.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -63.38 -59.2 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.504 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -73.56 141.8 46.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.779 0.323 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.442 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 5.9 mtm -111.97 155.77 23.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.7 m -98.55 156.95 16.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.03 -40.44 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -63.58 -53.69 47.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.25 -52.25 59.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 15.8 m-85 -47.9 -42.06 26.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -60.05 -37.56 80.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -69.7 -48.47 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -61.71 -44.08 97.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.2 m -60.58 -58.4 8.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.09 -43.26 30.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 23.5 mtp180 -58.52 -54.31 48.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -55.49 -36.64 66.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -72.2 -39.98 68.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.425 ' NE2' ' HB ' ' A' ' 43' ' ' VAL . 12.7 t60 -55.72 -39.5 71.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -72.39 -40.6 67.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.19 -36.51 52.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -95.21 -53.84 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -110.76 67.11 0.53 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.5 Cg_endo -69.72 -18.15 37.34 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -108.8 26.48 10.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.42 HG13 ' HD2' ' A' ' 42' ' ' PRO . 44.1 t -126.39 132.88 24.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.8 139.3 39.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 43' ' ' VAL . 7.3 p -118.21 99.05 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 45' ' ' PHE . 79.2 m-20 -64.13 87.98 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 44' ' ' ASN . 6.9 t80 -36.26 -46.43 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.89 -46.88 43.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 44' ' ' ASN . 8.0 mt-10 -79.25 -58.3 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.46 ' O ' ' CG ' ' A' ' 51' ' ' LYS . 43.3 t80 -42.75 -43.8 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -51.94 50.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -45.87 -32.83 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -88.69 -29.11 20.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 53' ' ' SER . 1.4 p -59.07 -44.81 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.495 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 4.4 t -68.99 -53.85 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 58' ' ' THR . 4.9 mm-40 -59.17 -24.84 63.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -80.05 -33.02 39.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.511 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 69.6 t-105 -63.12 -47.86 80.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -62.28 -31.32 71.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 54' ' ' GLU . 80.9 p -77.59 -29.62 52.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 67.1 mtp -62.52 149.03 44.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -103.92 161.86 13.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.09 -37.2 10.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -58.81 -31.38 68.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -91.64 -47.02 7.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 75.3 mttt -56.75 -35.99 69.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -34.86 -60.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -38.7 -50.02 1.61 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -90.0 -10.55 44.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' SER . 4.9 t70 -72.91 -36.96 67.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -79.64 -43.06 23.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 67.4 mtm -58.36 -46.13 86.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.7 68.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.613 ' O ' HG23 ' A' ' 76' ' ' VAL . 39.6 mmtt -51.98 -39.0 58.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.9 -41.59 22.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.09 -42.05 80.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -66.41 -44.5 82.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 72' ' ' LYS . 94.0 t -62.7 -50.71 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 3.9 tmm_? -51.39 -45.33 62.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -64.07 -49.57 71.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.51 -46.47 70.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -64.56 -45.62 86.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -62.93 -36.54 83.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.4 mmt -62.88 -31.77 72.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -61.42 -51.44 68.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.51 -42.78 61.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -56.79 -61.85 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.472 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 8.5 mtmp? -70.85 134.41 47.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.726 0.298 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.553 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 8.6 mtm -123.48 159.25 29.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' ALA . 5.6 m -105.53 158.71 16.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -36.13 -48.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.465 ' O ' HG23 ' A' ' 27' ' ' VAL . 18.5 t80 -57.12 -44.88 83.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.553 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -59.34 -50.93 72.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -50.53 -50.82 52.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.452 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 45.9 t80 -51.86 -35.38 44.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 23' ' ' TYR . 59.0 t -67.3 -55.47 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -50.99 -47.99 61.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.2 m -58.85 -62.15 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.452 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 30.9 m -44.21 -32.12 1.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.541 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 38.4 mtp180 -71.89 -47.92 49.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -55.75 -38.66 70.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.86 -38.38 90.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.572 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 11.6 t60 -67.32 -37.27 83.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -78.4 -28.06 46.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -64.83 -31.78 73.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -100.71 -49.08 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -117.0 68.16 4.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -26.33 27.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.657 2.238 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -76.57 -34.78 58.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.415 HG13 ' HD2' ' A' ' 42' ' ' PRO . 97.6 t -81.32 132.31 56.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.638 0.732 . . . . 0.0 111.184 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.415 ' HD2' HG13 ' A' ' 41' ' ' VAL . 54.2 Cg_endo -69.72 156.38 63.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.394 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.572 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 3.4 p -116.69 107.17 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -65.95 85.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -39.91 -49.99 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.47 -48.97 10.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' SER . 23.2 mm-40 -82.87 -57.9 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.541 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 3.2 t80 -39.44 -28.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -78.75 -45.88 20.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.1 tmmt? -49.32 -28.75 5.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -22.19 24.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.496 ' SG ' ' N ' ' A' ' 53' ' ' SER . 1.3 p -68.79 -44.55 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.496 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 3.2 t -61.21 -54.46 44.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.601 ' O ' HG23 ' A' ' 58' ' ' THR . 12.2 mm-40 -57.87 -32.18 67.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 mtp85 -75.13 -25.81 58.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.405 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 75.9 t-105 -78.13 -47.29 18.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -66.27 -36.13 82.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 54' ' ' GLU . 74.2 p -75.83 -23.72 55.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 26.4 mtp -69.73 148.52 49.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.6 t -91.87 164.81 13.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.1 -26.62 12.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -49.49 47.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.73 0.3 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -67.49 -19.51 65.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 65' ' ' SER . 70.5 mttt -89.47 -43.18 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' LYS . 55.5 m -37.64 -49.57 1.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -41.41 -48.89 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -86.02 -23.15 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -59.69 -36.72 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -78.96 -32.27 45.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.0 mtm -70.77 -33.93 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.56 87.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -64.36 -43.52 94.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.99 -28.09 68.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -70.59 -24.87 62.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -83.42 -45.33 13.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.03 -33.66 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -73.25 -48.0 38.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.446 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 19.5 t80 -67.02 -41.02 87.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.35 -54.0 30.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -64.36 -56.39 14.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.463 ' CA ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -50.97 -17.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.409 ' CG ' ' CE1' ' A' ' 78' ' ' TYR . 10.7 mmt -86.98 -38.23 16.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -74.46 -15.41 60.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -98.5 -27.11 14.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -83.91 -42.62 16.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -62.32 115.0 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 45.1 mtp -92.11 137.73 32.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.9 m -93.25 154.15 18.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.62 -42.22 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -55.69 -48.32 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.08 -58.79 6.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.062 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -40.34 -42.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.85 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.59 HG13 ' HE1' ' A' ' 48' ' ' PHE . 91.2 t -64.58 -50.32 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -57.64 -48.15 80.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.1 m -56.23 -59.59 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 t -50.38 -38.08 40.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.538 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 54.7 mtm180 -61.79 -52.31 64.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -56.89 -44.7 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.49 -37.49 81.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -61.21 -47.08 87.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 30.5 tttt -71.34 -56.47 5.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' LYS . 16.9 mmmt -35.2 -36.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' LYS . 52.9 mttm -94.77 -60.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -108.18 73.26 0.44 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.643 0.735 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.5 Cg_endo -69.79 -31.63 20.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HG3' HG23 ' A' ' 41' ' ' VAL . 11.8 pt-20 -68.85 -39.18 80.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.438 HG23 ' HG3' ' A' ' 40' ' ' GLU . 95.9 t -82.61 123.39 78.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -179.67 3.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.284 . . . . 0.0 112.358 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 43' ' ' VAL . 3.5 p -141.31 105.0 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' PHE . 8.5 t30 -58.43 81.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 43' ' ' VAL . 17.0 t80 -36.78 -54.61 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -38.89 -44.34 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' SER . 8.8 mt-10 -88.28 -58.81 2.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.59 ' HE1' HG13 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -41.2 -26.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -77.55 -44.96 26.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.822 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 47' ' ' GLU . 2.4 tppp? -59.27 -34.38 72.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -21.73 43.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.521 ' HB3' HG22 ' A' ' 27' ' ' VAL . 2.1 m -84.19 -55.09 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 76.1 p -50.49 -46.96 57.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.72 ' O ' HG23 ' A' ' 58' ' ' THR . 17.2 mt-10 -65.81 -37.78 87.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -65.6 -23.63 66.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -70.76 -47.0 61.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -69.61 -34.9 74.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 54' ' ' GLU . 39.1 p -70.69 -27.08 63.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.3 mtp -61.44 163.98 6.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -107.21 152.99 23.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -36.77 -44.16 0.9 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -61.49 -55.02 35.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.322 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.23 -29.48 61.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' SER . 72.8 mttt -77.87 -39.94 41.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.438 ' HA ' ' CB ' ' A' ' 68' ' ' ASP . 14.7 m -34.99 -51.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.558 ' HD2' ' CZ ' ' A' ' 67' ' ' PHE . 1.5 tmtp? -39.68 -50.77 2.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.558 ' CZ ' ' HD2' ' A' ' 66' ' ' LYS . 33.2 m-85 -92.24 -14.47 28.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.438 ' CB ' ' HA ' ' A' ' 65' ' ' SER . 9.1 t0 -66.55 -38.59 87.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -81.49 -25.02 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.494 ' HE1' ' HE2' ' A' ' 66' ' ' LYS . 49.1 mtm -78.97 -27.07 43.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.26 -31.21 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -66.3 -36.06 81.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.88 -39.95 25.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -38.98 -42.57 0.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -56.12 -46.18 79.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.49 -52.53 60.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.3 tmm_? -53.12 -48.32 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -59.05 -48.14 82.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -48.89 -44.53 40.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.807 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -67.13 -33.83 76.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.86 -34.8 72.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.9 mmt -64.65 -31.41 72.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -64.86 -55.2 20.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.89 -49.25 78.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -56.85 -52.11 66.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -61.0 125.7 24.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 71.8 mtp -106.36 157.12 17.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 m -112.81 156.11 23.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.66 -52.69 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -50.18 -51.49 43.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' PHE . . . -51.64 -63.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' ALA . 45.6 m-85 -38.22 -48.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.63 -44.96 73.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 24' ' ' ALA . 95.6 t -65.95 -42.43 91.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -61.7 -52.83 62.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.6 m -47.18 -57.75 4.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.0 m -50.04 -47.23 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 40.6 mtp180 -52.81 -51.09 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -62.69 -42.98 99.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -57.7 -20.09 31.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -90.56 -46.65 8.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -68.27 -51.63 42.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -39.52 -37.69 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.428 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 9.6 mmtm -94.94 -58.48 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -107.47 72.21 0.34 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.428 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.4 Cg_endo -69.69 -28.38 25.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.361 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.466 ' HG3' HG23 ' A' ' 41' ' ' VAL . 13.9 pt-20 -73.33 -34.79 65.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.466 HG23 ' HG3' ' A' ' 40' ' ' GLU . 90.3 t -86.16 123.47 71.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.729 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 175.82 7.56 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -132.63 118.45 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' PHE . 4.8 m-80 -66.86 77.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' ASN . 14.1 t80 -34.88 -50.09 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.97 -48.54 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -85.14 -52.75 5.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 20.1 t80 -45.02 -25.54 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -82.57 -43.4 17.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -56.18 -26.65 51.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -33.46 15.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.3 m -69.62 -57.94 4.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.7 t -53.37 -54.76 32.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.872 ' O ' HG23 ' A' ' 58' ' ' THR . 35.2 mm-40 -55.26 -26.6 40.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -79.75 -28.5 40.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -65.25 -49.5 69.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -65.14 -30.02 70.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.872 HG23 ' O ' ' A' ' 54' ' ' GLU . 60.2 p -73.56 -35.5 65.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.1 mtm -63.3 149.02 46.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.2 p -96.69 160.29 14.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.01 -38.98 2.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -55.2 -39.03 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -80.36 -54.31 5.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 65' ' ' SER . 69.3 mttt -51.4 -42.13 61.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -34.95 -53.12 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.432 ' HD3' ' CE ' ' A' ' 70' ' ' MET . 0.6 OUTLIER -40.75 -47.15 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -88.11 -24.23 23.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -55.84 -37.9 69.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -75.26 -45.08 42.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.432 ' CE ' ' HD3' ' A' ' 66' ' ' LYS . 20.2 mtm -53.78 -52.83 59.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.18 79.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.074 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -46.75 -46.54 20.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -74.51 -45.06 48.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -41.82 -24.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ALA . 6.7 ttpm? -77.21 -53.94 7.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 p -64.26 -29.31 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -72.37 -45.42 59.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -71.43 -47.1 58.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -45.03 -57.28 3.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.9 mtm105 -53.16 -48.37 68.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -53.22 -36.84 61.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.8 mmt -67.75 -29.35 68.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -69.79 -50.03 47.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.84 -45.95 73.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -53.32 -54.15 40.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -91.07 121.55 32.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.4 mtp -72.58 137.62 46.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.5 m -94.34 157.74 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.24 -43.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -58.06 -59.89 4.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.38 -47.44 13.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.065 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -51.07 -43.5 61.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 34.2 t80 -60.52 -36.58 78.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.5 t -72.29 -39.34 63.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -66.33 -48.52 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.1 m -56.54 -58.48 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.0 m -48.08 -42.23 28.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.588 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 9.5 mtp-105 -58.74 -55.35 36.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -52.47 -41.33 63.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -59.9 -40.79 89.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.5 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 10.8 t60 -59.09 -52.43 65.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' LYS . 23.4 tttt -64.28 -52.08 60.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' LYS . 32.0 mtpt -37.87 -32.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.454 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 9.6 mptt -98.65 -59.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -108.6 74.43 0.54 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -30.54 22.37 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.375 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.75 -29.75 58.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.3 t -87.3 126.28 62.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 155.63 65.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.5 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 2.4 p -111.2 109.87 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' PHE . 10.0 t-20 -64.76 79.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' ASN . 19.1 t80 -37.89 -56.44 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . -37.12 -44.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 49' ' ' SER . 10.8 mm-40 -88.12 -55.46 3.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 7.8 t80 -41.93 -25.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.8 t -81.51 -42.47 20.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -60.1 -28.94 68.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -26.47 25.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.4 ' SG ' ' CE1' ' A' ' 48' ' ' PHE . 36.3 m -77.41 -51.38 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.7 p -51.45 -50.53 59.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 58' ' ' THR . 4.7 mm-40 -61.66 -35.85 79.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -73.38 -14.49 61.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.475 ' CZ2' ' HD3' ' A' ' 64' ' ' LYS . 72.6 t-105 -85.23 -51.49 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -64.38 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 54' ' ' GLU . 74.9 p -72.97 -34.71 66.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.5 mtp -55.48 169.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 63' ' ' GLU . 2.8 m -118.64 143.74 46.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -34.57 -36.0 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' SER . 62.5 tttt -63.12 -46.35 87.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' SER . 29.8 mm-40 -71.53 -36.23 70.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.475 ' HD3' ' CZ2' ' A' ' 56' ' ' TRP . 37.0 mttp -68.0 -28.74 67.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 m -41.37 -43.5 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.423 ' CG ' ' N ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -52.53 -45.2 66.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.423 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 78.6 m-85 -82.42 -17.75 44.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -71.06 -44.35 65.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -66.43 -45.41 79.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.0 mtm -59.06 -42.94 91.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.02 95.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -46.67 -48.49 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.43 94.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -45.94 -44.71 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -61.44 -47.65 84.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.5 t -53.67 -48.66 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 78' ' ' TYR . 5.3 tmm_? -47.31 -53.89 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.434 ' N ' ' HD2' ' A' ' 77' ' ' ARG . 1.4 t80 -52.23 -53.76 39.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -49.62 -57.23 7.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -51.87 -45.23 64.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.89 -29.87 69.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.5 mmt -78.14 -27.0 48.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -62.31 -37.28 84.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.38 -36.56 19.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -68.58 -55.57 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.453 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -77.53 141.55 39.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 63.1 mtp -90.12 138.68 31.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' ALA . 64.1 m -96.88 156.09 16.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.555 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . . . -33.66 -50.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -55.81 -51.02 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.25 -57.06 9.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -46.98 -42.38 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.468 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 45.9 t80 -62.3 -44.26 96.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.406 HG12 ' HE ' ' A' ' 31' ' ' ARG . 73.1 t -66.02 -52.22 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.168 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -55.62 -44.28 76.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -52.36 -55.95 18.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.8 m -57.05 -34.36 68.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 45.7 mtm180 -66.0 -47.92 72.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -65.13 -41.28 94.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -62.52 -39.71 94.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -63.14 -46.08 88.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -68.08 -33.61 74.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -58.78 -32.32 69.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 1.0 OUTLIER -96.62 -53.17 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.609 ' CB ' HG12 ' A' ' 41' ' ' VAL . 15.0 m-20 -110.93 68.35 0.59 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.588 0.709 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.75 -9.76 26.9 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.674 2.25 . . . . 0.0 112.36 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.59 -25.04 15.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.609 HG12 ' CB ' ' A' ' 38' ' ' ASN . 1.8 p -90.88 136.36 27.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.578 0.704 . . . . 0.0 111.162 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.458 ' HD2' ' CG2' ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.8 174.59 9.33 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 43' ' ' VAL . 4.5 p -140.51 106.31 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' PHE . 7.2 m-20 -69.16 87.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' ASN . 13.7 t80 -37.31 -53.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.47 -55.15 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -74.52 -56.39 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 10.3 t80 -42.38 -32.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.93 -40.37 60.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -32.58 61.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 4.3 pttt -81.29 -31.4 33.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.473 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 60.3 m -76.48 -59.99 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.0 p -45.54 -44.29 12.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.929 ' O ' HG23 ' A' ' 58' ' ' THR . 20.5 mt-10 -69.2 -40.0 78.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -61.21 -32.12 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.425 ' NE1' ' HE2' ' A' ' 64' ' ' LYS . 73.7 t-105 -71.08 -59.71 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -53.73 -29.3 38.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.929 HG23 ' O ' ' A' ' 54' ' ' GLU . 63.4 p -73.45 -24.67 60.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.401 ' SD ' ' HB3' ' A' ' 63' ' ' GLU . 9.1 mmm -48.53 178.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -122.66 30.64 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.42 -64.9 1.37 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -52.07 -21.95 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.401 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 38.6 mm-40 -85.97 -32.85 21.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 65' ' ' SER . 92.5 mttt -61.72 -37.91 85.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.1 m -35.62 -51.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 65' ' ' SER . 12.5 tttt -37.47 -47.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 40.4 m-85 -92.63 -28.49 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.555 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 4.0 t70 -56.85 -38.39 72.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.74 -50.64 28.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 30.9 mtm -51.49 -34.56 36.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.04 -45.51 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -46.93 17.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.8 -54.64 24.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -46.96 -41.26 15.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.32 -45.8 92.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.5 t -56.2 -40.18 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -63.39 -53.43 52.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.542 ' CZ ' ' SD ' ' A' ' 82' ' ' MET . 44.8 t80 -59.05 -35.5 73.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.05 -58.13 9.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -63.12 -33.4 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.89 -45.23 94.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.542 ' SD ' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -57.92 -36.63 72.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -61.34 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -60.8 -46.05 92.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -62.28 -68.57 0.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -84.09 136.37 34.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.769 0.318 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.486 ' SD ' ' HB1' ' A' ' 24' ' ' ALA . 14.6 mmm -104.88 147.33 27.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -108.4 159.37 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.5 -44.08 35.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.046 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.467 ' HB2' ' NE1' ' A' ' 56' ' ' TRP . 3.5 t80 -56.65 -46.91 80.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -55.3 -59.64 4.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -39.71 -50.19 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -53.21 -41.96 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.6 -51.47 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -52.21 -45.99 65.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -55.34 -52.74 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.5 m -55.78 -37.63 68.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.55 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 18.7 mtp180 -62.35 -53.51 53.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -54.44 -36.58 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -69.05 -33.42 73.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.474 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 11.7 t60 -67.56 -45.3 76.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 35' ' ' LYS . 9.1 tmtt? -70.12 -38.71 75.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -52.92 -26.53 15.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -104.27 -55.56 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.11 73.91 2.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -35.77 12.0 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.2 -33.0 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.44 HG13 ' HD2' ' A' ' 42' ' ' PRO . 77.8 t -82.89 133.4 48.73 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.646 0.736 . . . . 0.0 111.151 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.44 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.73 171.32 14.65 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.709 2.273 . . . . 0.0 112.309 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 43' ' ' VAL . 7.2 p -128.61 101.69 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLU . 27.3 m-20 -60.69 82.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' ASN . 15.2 t80 -35.01 -53.31 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.85 -44.32 14.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' LYS . 7.8 mt-10 -85.04 -59.45 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.55 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 12.1 t80 -38.22 -35.95 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -71.04 -43.56 67.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.5 tppp? -47.51 -35.93 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -82.79 -29.29 29.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 18.1 m -90.01 -66.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 49' ' ' SER . 99.2 p -38.93 -54.45 1.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -57.69 -38.87 75.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' CYS . 37.3 mtt180 -67.04 -17.4 64.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.467 ' NE1' ' HB2' ' A' ' 23' ' ' TYR . 73.4 t-105 -80.6 -55.45 4.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -57.26 -28.95 63.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.934 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.6 p -78.17 -31.4 49.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.3 mtp -61.31 156.59 18.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 m -108.0 157.64 18.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -45.11 -40.82 7.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -57.54 -47.39 82.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -70.53 -51.05 31.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -55.65 -19.81 11.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.7 p -47.86 -48.54 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.485 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 19.1 ptmt -46.77 -44.42 19.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.485 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 85.1 m-85 -85.23 -9.98 57.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -74.86 -52.84 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.94 -39.34 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.4 mtm -61.63 -53.01 61.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.02 -41.84 68.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -47.11 -47.11 23.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.94 -40.21 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.04 -32.71 35.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -66.67 -35.96 81.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.83 -48.75 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -58.74 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.526 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 68.8 t80 -48.97 -47.29 44.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.91 -44.99 87.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -64.32 -40.48 95.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.56 -37.27 82.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.1 mmt -62.27 -29.6 70.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -65.98 -53.65 36.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.74 -46.44 72.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -56.84 -47.64 79.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.582 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 16.2 mttp -78.4 133.79 37.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 56.4 mtp -117.95 151.78 36.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 m -98.54 153.07 18.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.63 -39.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -63.71 -55.41 23.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.65 -51.74 20.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -46.19 -44.08 15.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -61.2 -48.49 81.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.5 -42.81 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -65.68 -46.92 77.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.7 m -57.36 -53.39 58.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.4 m -54.93 -36.76 65.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.591 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 10.2 mtp-105 -65.06 -54.21 33.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -50.73 -35.6 32.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -68.16 -39.79 82.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.536 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 10.2 t60 -62.24 -50.24 72.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -65.81 -59.05 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' LYS . 40.0 mtpt -34.84 -33.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' LYS . 37.7 mmtt -94.88 -61.81 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -107.79 76.82 0.59 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -32.08 19.26 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.14 -31.88 64.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.2 t -86.3 122.25 72.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 165.5 30.81 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.536 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 3.6 p -121.69 107.59 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' PHE . 1.9 m-20 -60.45 76.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 43' ' ' VAL . 10.5 t80 -35.53 -56.04 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -39.26 -46.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.058 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' SER . 6.1 mt-10 -86.54 -57.46 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.591 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 14.0 t80 -41.04 -24.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.1 t -81.64 -41.98 20.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -57.85 -27.05 62.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -32.99 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.0 m -71.27 -48.64 49.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 p -54.09 -56.52 17.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 58' ' ' THR . 72.8 mt-10 -53.18 -41.62 65.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -61.9 -25.96 67.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -71.56 -45.19 62.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -72.31 -30.13 64.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 54' ' ' GLU . 68.5 p -76.63 -30.25 56.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtp -59.49 167.27 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 61' ' ' GLY . 2.6 t -116.77 150.01 38.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -34.35 -37.45 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 60' ' ' SER . 12.4 mmtp -60.55 -57.27 13.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.713 0.292 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -63.13 -35.36 80.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 65' ' ' SER . 54.6 mttt -67.36 -43.53 81.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 64' ' ' LYS . 2.7 t -35.04 -46.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -40.16 -49.73 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -92.6 -28.97 16.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.58 -27.41 26.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -86.08 -40.32 15.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 26.7 mtm -61.34 -45.83 92.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.1 98.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -52.24 -35.1 48.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -86.01 -42.57 13.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -36.87 -29.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 73' ' ' ALA . 9.0 ttpt -71.76 -52.45 17.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 p -66.4 -36.83 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -63.75 -56.89 12.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.582 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 21.4 t80 -62.04 -49.01 77.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -53.93 -50.48 66.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -61.74 -16.74 51.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -95.26 -31.11 13.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 79.4 mmm -80.94 -27.63 36.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -68.52 -26.25 65.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -97.03 -27.73 14.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -75.03 -43.84 51.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HB3' ' CG ' ' A' ' 78' ' ' TYR . 11.3 pttm -110.7 124.32 51.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.528 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 4.9 mtp -83.56 154.91 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.57 178.62 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' HB1' ' HH2' ' A' ' 56' ' ' TRP . . . -49.75 -38.85 35.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -67.43 -50.91 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.528 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -57.2 -53.06 62.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -48.08 -41.12 25.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -63.07 -52.01 64.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.2 -46.18 84.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -60.14 -63.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.8 m -41.75 -44.58 3.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.45 -48.57 79.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.489 ' NH2' ' CD1' ' A' ' 45' ' ' PHE . 16.1 mtt180 -52.6 -49.18 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -61.15 -43.29 99.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -62.58 -16.76 57.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.421 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 5.3 t60 -90.14 -49.53 6.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -67.87 -54.35 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -38.74 -35.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.449 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 11.4 mtmm -93.03 -56.78 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -108.97 69.15 0.38 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.449 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.7 Cg_endo -69.74 -14.47 36.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.643 2.229 . . . . 0.0 112.355 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -89.35 -22.8 22.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -95.94 130.72 30.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 173.53 10.81 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.659 2.24 . . . . 0.0 112.368 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' PHE . 2.7 p -134.55 97.87 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -54.36 83.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' VAL . 12.0 t80 -40.01 -55.35 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.5 -42.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -89.19 -61.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 5.1 t80 -39.16 -32.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -47.01 27.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -56.75 -34.2 67.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -80.3 -32.68 38.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 2.5 m -66.99 -43.15 83.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -60.53 -60.06 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 58' ' ' THR . 19.6 mt-10 -51.43 -31.89 24.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.9 mtt-85 -71.39 -28.38 63.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.417 ' HH2' ' HB1' ' A' ' 22' ' ' ALA . 76.8 t-105 -69.65 -46.69 65.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -66.4 -30.91 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 54' ' ' GLU . 80.3 p -77.13 -30.3 55.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.9 mtp -56.18 158.1 4.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -104.12 152.01 22.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.56 -30.75 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -57.47 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -58.79 -28.13 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 65' ' ' SER . 67.6 mttt -77.38 -43.53 32.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 64' ' ' LYS . 31.5 t -35.11 -49.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -37.45 -51.01 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -90.2 -41.21 11.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -41.85 -30.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -88.67 -41.48 12.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.5 mtm -61.67 -22.36 65.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.13 -50.02 17.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.87 -39.7 40.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.63 -53.65 12.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -46.96 -41.7 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -55.84 -45.99 78.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.617 HG12 ' NE ' ' A' ' 80' ' ' ARG . 65.8 t -51.33 -61.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.441 ' HD2' ' CD ' ' A' ' 81' ' ' GLU . 9.1 tpp180 -45.95 -61.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.55 ' CZ ' ' SD ' ' A' ' 82' ' ' MET . 23.4 t80 -50.09 -56.53 10.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.413 ' C ' ' OD1' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -39.63 -60.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.617 ' NE ' HG12 ' A' ' 76' ' ' VAL . 1.2 mpp_? -57.0 -41.43 78.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.441 ' CD ' ' HD2' ' A' ' 77' ' ' ARG . 30.7 mt-10 -59.6 -38.82 82.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.55 ' SD ' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -65.35 -32.11 73.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -71.81 -41.23 68.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.36 -43.13 52.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -73.51 -55.42 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.514 ' HA2' ' CZ ' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 8.3 mtmp? -114.24 134.79 54.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.6 mtp -85.6 136.31 33.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 m -99.83 152.54 20.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.65 -46.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -50.02 -57.92 6.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.37 -57.27 4.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.092 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 70' ' ' MET . 26.3 m-85 -40.93 -48.86 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -54.48 -43.11 71.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.94 -52.68 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -55.95 -61.04 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 m -49.39 -50.34 40.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.5 m -53.54 -40.8 65.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -61.45 -52.68 63.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -29.85 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -69.76 -45.19 68.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -62.33 -43.55 98.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -73.08 -43.61 61.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.41 -30.55 8.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -99.32 -47.54 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.571 ' CB ' HG12 ' A' ' 41' ' ' VAL . 18.8 m-20 -115.07 66.38 1.96 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.642 0.734 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -5.58 16.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -102.51 -21.65 14.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.571 HG12 ' CB ' ' A' ' 38' ' ' ASN . 1.8 p -93.7 136.73 23.68 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.476 ' HD2' HG22 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.78 171.19 14.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.366 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 45' ' ' PHE . 2.2 p -141.59 106.33 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' PHE . 2.8 m120 -59.64 79.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' VAL . 29.5 t80 -35.51 -53.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.42 -44.71 17.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' ASN . 3.3 mm-40 -80.92 -58.28 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 5.7 t80 -41.06 -31.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 t -79.06 -43.13 24.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -29.42 64.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -83.27 -31.64 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.875 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' ARG . 2.0 m -65.26 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 55.2 p -43.24 -44.27 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.564 ' O ' HG23 ' A' ' 58' ' ' THR . 5.6 mm-40 -67.86 -29.35 68.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' CYS . 26.4 mtp85 -82.54 -19.64 38.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -76.18 -55.63 5.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -31.41 68.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 54' ' ' GLU . 69.1 p -76.48 -31.57 57.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mtp -55.64 164.14 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -105.67 149.3 26.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -38.81 -39.98 0.97 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -61.63 -49.26 77.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -59.74 -36.99 77.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -74.4 -32.72 62.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -39.82 -57.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 14.6 ptmt -46.17 -41.5 12.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.43 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 78.7 m-85 -83.3 -17.95 40.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -67.97 -53.63 24.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.91 -43.74 91.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.495 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 75.2 mtm -57.64 -45.35 85.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.471 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . . . -61.85 -41.53 97.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.534 ' O ' HG23 ' A' ' 76' ' ' VAL . 9.3 mtpm? -49.5 -44.76 46.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.33 -43.77 89.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.42 -21.2 66.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.97 -28.48 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.9 t -84.65 -41.78 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -30.29 66.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.541 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 70.1 t80 -76.88 -52.72 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -47.82 -40.61 21.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -75.1 -51.04 14.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -48.17 -38.4 18.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.9 mmt -66.96 -36.22 81.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -62.62 -40.57 97.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -81.29 -40.54 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -65.5 -55.67 16.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.443 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -65.81 136.88 56.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.42 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 12.4 mtm -112.55 161.07 17.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ALA . 35.2 m -99.67 150.96 21.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -34.2 -41.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.441 ' HB2' ' NE1' ' A' ' 56' ' ' TRP . 4.4 t80 -58.32 -63.05 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -39.7 -58.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -41.15 -53.17 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -50.81 -48.66 59.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.11 -54.13 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -54.88 20.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.0 m -48.12 -49.04 33.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.0 m -55.01 -48.2 73.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.544 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 9.3 mtp-105 -54.61 -49.23 70.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -59.84 -42.36 93.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -58.25 -23.95 57.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -85.48 -57.12 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' CD ' ' HA ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -54.85 -45.61 74.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -44.41 -38.03 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 23.9 mtpt -93.05 -58.3 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.436 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 3.6 m-80 -108.68 69.62 0.37 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.583 0.706 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.492 ' HA ' ' CD ' ' A' ' 35' ' ' LYS . 53.6 Cg_endo -69.74 -9.16 25.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -113.48 29.44 7.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 42' ' ' PRO . 99.5 t -128.89 138.85 34.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.729 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.69 143.36 50.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.642 ' O ' HG13 ' A' ' 43' ' ' VAL . 7.4 p -131.58 91.58 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' PHE . 2.7 m-20 -54.5 84.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 43' ' ' VAL . 30.5 t80 -35.94 -48.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.47 -52.72 12.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -75.55 -48.67 21.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CD2' ' HE3' ' A' ' 51' ' ' LYS . 4.4 t80 -52.19 -29.11 20.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t -76.79 -45.49 28.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.34 -31.88 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.584 ' HE3' ' CD2' ' A' ' 48' ' ' PHE . 12.2 pttt -83.4 -32.46 26.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 69.5 m -79.5 -62.99 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.7 p -41.43 -53.75 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.634 ' O ' HG23 ' A' ' 58' ' ' THR . 7.1 mm-40 -59.36 -35.04 73.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -71.88 -15.26 62.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.441 ' NE1' ' HB2' ' A' ' 23' ' ' TYR . 70.3 t-105 -78.41 -37.46 43.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -33.06 54.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 54' ' ' GLU . 33.9 p -72.1 -33.41 67.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.2 mtp -54.33 168.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' GLY . 3.1 m -116.81 148.3 41.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -36.28 -37.91 0.22 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.497 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -60.24 -60.48 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.299 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -60.27 -34.93 74.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 65' ' ' SER . 63.6 mttt -66.09 -44.04 85.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.4 t -35.36 -46.3 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -39.99 -49.13 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -92.42 -30.07 15.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.414 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 6.2 t0 -53.51 -38.43 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -75.82 -43.14 47.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 61.6 mtm -58.3 -47.04 84.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.81 -51.95 67.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -45.78 -38.39 7.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.22 -48.01 31.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.425 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 29.9 t0 -38.73 -42.59 0.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -58.41 -52.89 63.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.5 t -57.53 -52.4 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.2 tmm_? -55.36 -49.48 72.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -64.08 -36.94 85.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.34 -38.69 91.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -76.8 -21.48 55.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -85.76 -10.23 55.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.5 mmt -92.77 -26.14 17.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -64.03 -21.18 66.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -102.45 -35.87 8.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -73.13 -39.89 65.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 78' ' ' TYR . 17.3 mttm -63.41 136.53 57.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.424 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 13.6 mtm -106.68 160.09 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.5 m -111.48 163.72 13.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.821 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . . . -37.75 -54.09 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CE1' ' SG ' ' A' ' 52' ' ' CYS . 92.8 t80 -51.12 -46.25 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.424 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -57.59 -58.44 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -47.89 -42.6 27.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' HD1' ' CE2' ' A' ' 67' ' ' PHE . 58.2 t80 -60.87 -26.92 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.546 HG12 ' HE ' ' A' ' 31' ' ' ARG . 75.2 t -83.52 -55.01 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -54.67 -55.47 29.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.2 m -46.73 -57.43 4.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -56.13 -42.17 76.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.546 ' HE ' HG12 ' A' ' 27' ' ' VAL . 46.2 mtm180 -57.79 -51.97 67.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -53.15 -40.16 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.05 -35.27 79.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -61.91 -40.94 97.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -73.99 -44.03 56.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -36.03 32.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 46.8 mttm -95.2 -56.21 2.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -110.23 68.05 0.5 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.74 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.45 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.74 -17.96 37.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.385 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HG3' HG23 ' A' ' 41' ' ' VAL . 7.4 pt-20 -80.55 -38.72 29.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.485 HG23 ' HG3' ' A' ' 40' ' ' GLU . 60.8 t -82.96 127.81 68.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.74 59.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.39 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 43' ' ' VAL . 2.6 p -111.05 104.59 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 47' ' ' GLU . 2.1 m-20 -70.75 88.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' ASN . 14.1 t80 -35.82 -45.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.53 -46.67 63.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' ASN . 15.4 mm-40 -80.72 -52.66 7.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.501 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 4.4 t80 -48.66 -37.33 18.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -75.9 -45.92 32.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -31.48 63.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -24.62 41.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.584 ' SG ' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -67.71 -62.03 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.7 t -37.77 -54.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.822 ' O ' HG23 ' A' ' 58' ' ' THR . 4.5 mm-40 -64.71 -31.75 73.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 52' ' ' CYS . 56.1 mtt180 -76.1 -19.14 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.524 ' CD1' ' HE2' ' A' ' 64' ' ' LYS . 64.0 t-105 -84.97 -55.62 3.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -56.97 -28.59 62.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 54' ' ' GLU . 75.1 p -75.6 -21.04 58.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.3 mmm -48.02 176.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.9 m -118.73 26.2 9.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.81 -57.53 2.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -58.79 -24.39 61.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -81.07 -31.31 34.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.524 ' HE2' ' CD1' ' A' ' 56' ' ' TRP . 83.2 mttt -67.48 -46.65 72.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' LYS . 14.9 m -37.73 -47.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' SER . 7.1 ttpp -37.25 -49.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.4 ' CE2' ' HD1' ' A' ' 26' ' ' PHE . 20.0 m-85 -91.2 -40.19 11.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.821 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 1.7 t70 -46.38 -38.11 8.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -77.18 -47.73 19.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.4 mtm -50.32 -40.64 49.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.3 -53.11 54.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -42.22 -38.79 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.44 -48.81 16.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.1 OUTLIER -38.45 -42.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 16.2 ttmm -56.63 -52.14 66.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 83.7 t -56.83 -41.84 76.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -46.51 73.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 1.1 t80 -57.32 -53.69 55.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -45.28 -45.02 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -64.88 -51.49 61.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -50.46 -40.18 50.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.3 mmt -61.75 -37.83 85.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -69.7 -30.19 67.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.23 -47.92 13.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -68.11 -50.34 55.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.447 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.552 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.562 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 29.6 mtmt -121.04 141.92 50.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.1 mtm -131.77 157.97 42.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.1 m -101.15 155.56 17.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.44 -40.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -62.04 -58.93 6.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.21 -45.3 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -52.72 -44.07 66.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -61.8 -49.63 75.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -61.97 -41.13 89.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -65.05 -45.79 83.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.4 m -52.92 -57.74 9.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.7 t -52.78 -42.53 65.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 22.3 mtm180 -57.8 -52.27 66.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.3 -35.55 62.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.88 -30.21 65.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -70.23 -38.59 75.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -74.39 -28.84 61.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -64.7 -30.31 71.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 3.7 mmmp? -100.87 -51.37 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -111.59 68.59 0.76 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.8 Cg_endo -69.79 -25.37 28.54 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -105.23 32.49 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.641 HG13 ' HD2' ' A' ' 42' ' ' PRO . 86.7 t -134.61 138.4 29.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.592 0.71 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.641 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.8 155.11 66.64 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 43' ' ' VAL . 4.8 p -132.64 97.26 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' PHE . 37.3 m-20 -58.51 85.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' VAL . 9.4 t80 -37.84 -52.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.91 -46.03 3.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 50' ' ' LYS . 11.6 mt-10 -83.44 -57.99 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 5.2 t80 -40.33 -31.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.36 -45.14 56.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 47' ' ' GLU . 6.6 tppt? -51.07 -35.53 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HE2' ' CD2' ' A' ' 48' ' ' PHE . 1.8 pttm -78.71 -26.3 44.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.9 m -88.01 -66.11 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.9 p -42.29 -56.02 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 58' ' ' THR . 14.4 mt-10 -53.87 -33.39 56.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.0 mtt85 -75.79 -29.61 58.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.439 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 74.7 t-105 -65.67 -29.99 70.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -86.6 -33.37 20.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 54' ' ' GLU . 72.9 p -75.06 -15.36 60.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.5 mtp -74.69 165.54 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.8 m -112.54 154.88 25.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.04 -35.36 1.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -64.35 -43.54 94.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.717 0.294 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -73.32 -35.62 66.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 63.1 mttt -70.52 -41.17 72.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.7 m -35.05 -48.1 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -39.33 -49.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -90.78 -30.58 16.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -49.26 -36.77 21.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.4 -45.61 37.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 69.2 mtm -58.27 -40.69 82.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.89 -43.16 89.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -58.7 -26.35 63.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.0 -23.34 18.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -24.17 66.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -81.01 -43.24 19.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.37 -34.55 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.499 ' NE ' ' OE2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -65.88 -55.32 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 53.9 t80 -58.75 -40.9 85.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.68 -51.27 70.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -66.49 -24.52 66.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.499 ' OE2' ' NE ' ' A' ' 77' ' ' ARG . 56.3 mt-10 -82.12 -21.42 36.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.3 mmt -85.59 -28.2 24.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -24.93 62.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -96.27 -26.04 15.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -83.12 -40.72 19.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' GLY . 4.6 m 36.9 49.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -96.6 -49.95 4.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.31 58.72 9.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -170.84 115.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -90.87 83.38 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.12 -141.45 16.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.42 165.04 15.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.715 0.293 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.09 -40.54 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -90.13 90.48 8.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.23 126.84 1.69 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 2.3 t70 -89.84 140.59 27.84 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 54.0 Cg_endo -69.76 0.82 5.09 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.737 2.292 . . . . 0.0 112.338 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -89.31 -52.83 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.482 ' HG3' ' CZ ' ' A' ' 85' ' ' TYR . 16.1 ttpt -51.79 140.37 29.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.563 0.697 . . . . 0.0 110.915 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 52.9 Cg_endo -69.84 138.85 38.51 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.246 . . . . 0.0 112.343 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' O ' ' CE2' ' A' ' 78' ' ' TYR . 6.9 tmtt? -68.79 136.92 53.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' N ' ' HD3' ' A' ' 17' ' ' LYS . . . -41.81 161.54 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.479 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HG3' ' CD1' ' A' ' 78' ' ' TYR . 31.9 mtmm -70.39 134.02 47.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.8 mtp -108.65 148.89 29.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -105.88 158.67 16.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.47 -47.14 3.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -50.99 -62.21 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.35 -54.01 3.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -44.97 -49.94 10.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -53.9 -44.86 70.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.4 t -66.92 -49.03 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -61.5 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.5 m -46.22 -41.68 13.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.19 -40.6 96.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.579 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 8.9 mtp-105 -63.97 -55.55 21.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -48.59 -37.75 18.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.74 -38.55 80.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -62.44 -36.2 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HD3' ' C ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -73.15 -33.79 65.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -58.65 -33.92 70.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.446 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 2.5 mmmm -97.6 -54.03 3.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.416 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 2.0 m-80 -110.29 67.81 0.5 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.2 Cg_endo -69.82 -23.79 30.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.54 31.36 5.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 42' ' ' PRO . 95.2 t -129.08 138.85 34.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.671 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.78 148.97 66.1 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' ' 43' ' ' VAL . 7.7 p -132.57 98.79 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' PHE . 19.7 t30 -63.84 87.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' ASN . 15.3 t80 -37.3 -43.61 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.58 -52.21 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.076 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.79 -53.06 9.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 21.3 t80 -45.37 -40.24 7.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -69.94 -43.81 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.17 -33.59 41.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 8.4 ptpt -84.12 -31.14 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 85.0 m -76.48 -62.73 1.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -44.72 -48.18 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 58' ' ' THR . 12.3 mm-40 -61.68 -28.69 69.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -80.1 -17.62 52.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.404 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 74.1 t-105 -80.46 -40.28 26.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -73.97 -33.1 63.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 54' ' ' GLU . 69.8 p -77.47 -13.78 59.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.8 mtp -71.87 157.14 38.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 63' ' ' GLU . 1.8 t -102.8 143.45 32.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -35.72 -36.94 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -61.94 -46.78 87.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.692 0.282 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 60' ' ' SER . 5.5 mp0 -67.28 -44.72 78.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 70.7 mttt -60.32 -25.3 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -44.66 -53.98 6.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.489 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 14.2 ptmt -45.5 -40.53 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.489 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 78.5 m-85 -89.37 -13.0 38.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -75.77 -45.5 35.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -60.89 -40.98 95.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.4 mtm -66.26 -57.7 6.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.817 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.45 -48.79 68.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -49.28 -33.62 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.68 -19.48 27.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -73.63 -17.26 61.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -88.38 -33.39 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 p -80.15 -33.38 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -69.04 -49.5 56.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.463 ' CE2' ' O ' ' A' ' 17' ' ' LYS . 57.3 t80 -63.04 -42.56 99.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -56.1 -47.09 78.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 mtm105 -65.88 -39.54 90.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.66 -39.05 83.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.0 mmt -63.42 -32.7 74.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -58.96 -45.46 90.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.53 -38.85 54.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.482 ' CZ ' ' HG3' ' A' ' 15' ' ' LYS . 7.3 t80 -64.43 -61.15 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -66.02 140.24 58.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.9 p -47.56 172.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.3 82.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p -92.6 121.41 34.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p 39.8 43.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.58 129.2 1.93 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -136.73 138.0 40.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.746 0.307 . . . . 0.0 110.915 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 8' ' ' MET . . . -37.18 133.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -118.77 -0.58 11.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.33 114.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.6 149.93 1.0 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -41.8 3.91 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.02 73.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.524 ' HD2' ' CE1' ' A' ' 85' ' ' TYR . 17.5 tptp -169.23 136.07 1.47 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 173.03 11.5 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -117.82 64.48 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.54 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . 40.25 -159.62 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.492 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -112.66 116.21 29.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.744 0.307 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.432 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 3.6 mtm -99.82 158.18 15.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 22' ' ' ALA . 7.0 m -110.08 159.21 17.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -36.32 -47.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.072 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -53.95 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.43 -43.6 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.114 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -53.9 -43.59 69.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -61.77 -47.67 84.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.26 -41.81 88.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -64.72 -48.93 72.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.1 m -53.92 -53.53 51.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.4 t -53.72 -41.05 66.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.593 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 14.8 mtt180 -60.51 -42.74 97.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -60.26 -43.6 96.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -59.28 -30.56 68.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -67.57 -63.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -41.76 -58.09 2.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.81 -33.98 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 33.5 mmtm -91.16 -61.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.46 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 6.1 m-80 -109.38 70.51 0.47 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.71 -14.88 36.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.381 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -113.48 24.96 11.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.587 HG13 ' HD2' ' A' ' 42' ' ' PRO . 57.9 t -128.99 137.68 31.54 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.663 0.744 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.587 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.4 Cg_endo -69.75 163.52 37.96 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 p -139.36 104.96 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -68.5 91.68 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -40.1 -53.05 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.72 -38.64 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -89.88 -58.31 2.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.593 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 23.2 t80 -41.72 -33.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.64 -44.39 57.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.27 -29.66 6.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 3.9 ptpp? -88.98 -30.75 18.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 80.4 m -73.46 -64.19 1.04 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.3 p -44.58 -49.56 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 58' ' ' THR . 15.2 mm-40 -59.82 -27.28 66.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' CYS . 27.5 mtt180 -80.83 -21.62 40.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -76.43 -40.9 49.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -73.74 -29.2 62.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 54' ' ' GLU . 72.8 p -78.13 -30.33 49.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.9 mtp -62.17 152.23 33.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 p -95.93 151.85 19.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -38.62 -32.35 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -60.03 3.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -55.48 -36.35 66.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 65' ' ' SER . 73.6 mttt -67.26 -43.18 82.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' LYS . 5.8 t -35.83 -49.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 65' ' ' SER . 12.5 tttt -37.64 -50.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -89.15 -26.72 21.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' CB ' ' HA ' ' A' ' 65' ' ' SER . 6.9 t0 -53.32 -41.42 65.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -72.81 -43.73 62.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 72.6 mtm -59.88 -38.14 81.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.35 -47.48 76.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -53.98 -23.04 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.67 -14.92 18.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.08 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 20' ' ' MET . 4.4 t70 -65.72 -23.27 66.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -83.38 -45.07 14.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p -74.7 -32.22 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.408 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.1 tmm_? -70.35 -40.11 74.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.54 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 88.5 t80 -68.84 -45.75 70.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.987 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -50.03 -51.54 41.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -60.69 -37.8 82.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.15 -44.49 94.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.505 ' SD ' ' CZ ' ' A' ' 78' ' ' TYR . 63.6 mmm -60.95 -33.87 73.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -53.19 -38.04 62.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.89 -45.77 26.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.524 ' CE1' ' HD2' ' A' ' 15' ' ' LYS . 8.6 t80 -60.05 -58.69 7.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.442 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -105.7 131.64 52.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.6 p -122.03 127.6 50.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.21 168.37 38.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.7 t -56.31 132.9 52.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 p -99.94 173.51 6.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.64 84.84 0.57 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -22.9 38.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.78 -31.41 6.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.51 124.72 31.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.48 130.54 1.3 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -159.71 151.35 16.65 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -21.18 33.93 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.373 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -68.3 -40.1 81.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.96 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 18.3 tttt -108.07 143.24 26.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 0.0 110.915 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.4 Cg_endo -69.79 129.31 17.35 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.725 2.283 . . . . 0.0 112.316 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -94.99 76.21 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.504 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . 42.91 -164.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 31.8 mtmm -108.83 135.68 49.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.5 mtp -112.71 130.94 55.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' ALA . 26.3 m -86.04 154.06 21.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -36.14 -44.07 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -57.75 -57.77 11.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.56 -55.11 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -43.06 -48.68 6.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -55.95 -50.13 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.463 HG22 ' HB3' ' A' ' 52' ' ' CYS . 67.9 t -59.1 -40.72 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -65.02 -48.35 74.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.534 HG22 ' OE1' ' A' ' 33' ' ' GLU . 33.1 m -58.93 -52.71 64.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.4 m -52.16 -40.85 62.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.59 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 16.3 mtp180 -59.59 -51.54 69.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -57.81 -39.02 76.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.534 ' OE1' HG22 ' A' ' 29' ' ' THR . 20.6 mt-10 -66.66 -31.19 71.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -71.87 -42.21 67.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -52.68 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.6 -27.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 18.4 mtpp -100.25 -56.4 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -108.73 70.66 0.4 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.648 0.737 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.74 -22.75 31.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -85.56 -23.25 27.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.0 t -94.07 131.23 32.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.662 0.744 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 179.79 3.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.0 p -140.05 109.35 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' GLU . 24.8 m-20 -67.13 81.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 44' ' ' ASN . 13.7 t80 -34.53 -53.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.45 -45.34 9.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' ASN . 8.8 mm-40 -84.2 -56.21 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.59 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 30.8 t80 -40.49 -33.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t -78.01 -41.93 34.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -55.57 -29.18 58.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -92.04 -34.25 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.463 ' HB3' HG22 ' A' ' 27' ' ' VAL . 13.5 m -64.71 -36.27 83.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 m -69.97 -53.77 16.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.732 ' O ' HG23 ' A' ' 58' ' ' THR . 11.1 mm-40 -58.45 -27.56 64.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -73.46 -32.73 64.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -65.73 -49.98 66.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -65.23 -38.11 89.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.732 HG23 ' O ' ' A' ' 54' ' ' GLU . 82.2 p -71.06 -32.83 69.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.3 mtp -52.43 159.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' GLY . 8.4 t -100.62 143.62 30.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -34.49 -41.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -58.76 -55.4 35.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.736 0.303 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -58.62 -34.08 70.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 65' ' ' SER . 68.5 mttt -69.92 -45.22 67.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' LYS . 68.1 m -36.13 -47.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -41.61 -47.65 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -92.37 -24.75 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -59.84 -25.39 64.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -87.15 -37.36 17.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 34.6 mtm -65.68 -49.94 66.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.96 -48.95 74.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -46.22 -40.92 12.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.85 -13.63 41.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.064 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -76.05 -20.86 57.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -87.08 -36.32 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 p -80.78 -34.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -44.44 81.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 88.9 t80 -62.98 -47.61 82.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -46.89 -55.85 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -63.23 -36.91 85.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.36 -38.96 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 mmt -71.98 -24.27 61.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -72.59 -37.65 68.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.39 -41.08 20.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -63.64 -52.55 60.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -117.38 108.55 15.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 m -96.51 122.95 39.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.64 -136.15 0.17 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.543 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 m -162.08 111.87 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 p -91.34 104.45 16.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.91 -123.02 0.89 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.0 mmt -48.33 -58.17 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.41 137.35 42.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -128.45 114.87 17.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.48 -176.88 49.88 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -121.94 143.07 37.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.594 0.712 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -34.91 13.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.307 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -68.77 -44.6 73.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 40.1 tttt -56.14 140.4 70.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.552 0.691 . . . . 0.0 110.903 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.3 Cg_endo -69.83 140.49 42.53 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.691 2.261 . . . . 0.0 112.318 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -60.09 119.28 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.551 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . -46.2 137.99 7.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -60.82 133.79 56.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 75.6 mtp -81.47 163.2 22.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 22' ' ' ALA . 37.1 m -118.66 153.12 34.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -34.04 -52.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -55.93 -63.16 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.03 -45.46 7.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.049 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -55.04 -38.59 68.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -65.1 -42.19 94.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.13 -41.1 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -67.14 -51.63 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.3 m -49.82 -52.17 34.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 m -58.24 -37.27 74.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 23.6 mtm180 -62.89 -48.72 77.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -55.39 -40.58 71.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -68.24 -35.24 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.421 ' NE2' ' HB ' ' A' ' 43' ' ' VAL . 17.7 t60 -65.2 -39.84 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -73.87 -44.95 53.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -53.33 -36.5 61.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 36.3 mttp -93.45 -57.03 2.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.42 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 12.1 m-80 -109.24 68.87 0.4 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.451 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.7 Cg_endo -69.75 -28.11 25.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.334 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.41 37.06 2.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.528 HG13 ' HD2' ' A' ' 42' ' ' PRO . 93.0 t -132.99 135.45 25.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 111.143 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.528 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.74 141.96 46.75 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 43' ' ' VAL . 7.5 p -124.46 101.59 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 47' ' ' GLU . 2.2 m-20 -57.04 80.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' VAL . 6.8 t80 -35.68 -60.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.71 -40.71 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' ASN . 12.2 mt-10 -83.63 -63.0 1.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.406 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 3.1 t80 -42.36 -24.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -85.62 -43.31 13.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -52.7 -29.29 25.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -37.21 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.3 m -60.6 -54.67 42.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.2 p -56.63 -59.95 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 58' ' ' THR . 5.7 mm-40 -50.32 -32.03 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -70.8 -30.2 66.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -68.97 -57.65 5.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -56.28 -35.51 67.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 54' ' ' GLU . 82.1 p -72.21 -33.65 67.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.3 mtp -56.87 170.51 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.7 t -106.91 165.76 11.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.07 -41.95 30.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.474 ' N ' ' HE3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.27 -54.5 36.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.748 0.308 . . . . 0.0 110.96 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -51.67 -33.23 32.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' SER . 78.5 mttt -80.33 -36.67 33.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 68' ' ' ASP . 3.5 t -37.88 -57.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.465 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 18.5 ptmt -41.24 -44.12 2.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.465 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 86.7 m-85 -82.29 -21.02 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' SER . 14.5 t0 -66.38 -58.25 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -49.92 -43.88 50.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.3 mtm -57.24 -52.85 63.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.6 91.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -44.01 -46.69 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.23 -46.27 64.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -49.95 -44.81 50.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.15 -47.78 77.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.2 t -55.02 -52.09 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -51.35 -59.28 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.551 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 44.3 t80 -50.98 -49.81 59.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -46.28 -55.64 6.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -57.54 -44.21 84.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.0 -19.44 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.6 mmt -82.68 -34.25 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -62.77 -47.96 81.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -68.49 -44.44 74.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -56.0 -63.09 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 p -94.18 -50.75 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.815 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -68.47 -55.03 13.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.48 -123.68 1.6 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.552 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 t -85.98 89.97 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 t -70.56 132.01 44.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.87 -175.69 33.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.6 mtp -46.02 -54.72 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.58 91.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -88.48 -47.06 8.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.43 177.5 48.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.44 149.64 88.9 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.699 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -14.33 36.01 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.662 2.242 . . . . 0.0 112.343 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -58.82 -40.31 83.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 59.3 tttm -60.75 139.44 93.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.643 0.735 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.4 Cg_endo -69.78 117.61 5.19 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' GLY . 24.1 ttmt -53.56 127.97 27.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -34.46 151.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 38.6 mtmt -76.0 130.97 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 68.9 mtp -101.84 140.14 36.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' ALA . 49.6 m -98.51 148.87 23.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -34.26 -47.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.085 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -56.03 -54.61 42.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.77 -48.35 66.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -48.44 -42.01 31.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -61.91 -51.47 68.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.3 t -58.99 -46.34 91.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -62.57 -56.33 18.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 90.4 m -51.13 -50.6 58.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.38 -40.11 67.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 34.4 mtp180 -61.42 -52.6 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -56.15 -37.98 70.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -63.28 -38.46 91.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -65.06 -57.26 9.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -58.18 -47.55 83.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -47.17 -31.63 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -93.76 -60.56 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.624 ' HB2' HG12 ' A' ' 41' ' ' VAL . 11.0 m-80 -108.16 70.41 0.35 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.671 0.748 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.3 Cg_endo -69.73 -6.28 18.21 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.388 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -100.02 -21.8 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.624 HG12 ' HB2' ' A' ' 38' ' ' ASN . 1.8 p -94.89 136.7 22.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.612 0.72 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.477 ' HD2' HG22 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.76 172.24 13.0 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 43' ' ' VAL . 7.4 p -138.94 105.33 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' PHE . 35.4 t-20 -61.48 76.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' VAL . 29.4 t80 -34.52 -53.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.85 -50.92 5.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 49' ' ' SER . 6.5 mt-10 -79.12 -55.68 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 1.7 t80 -42.22 -23.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.1 t -83.67 -48.68 9.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -55.59 -21.01 15.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.419 ' HD3' ' CD ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -91.98 -30.73 15.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.22 -51.22 12.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.6 p -49.98 -61.02 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.626 ' O ' HG23 ' A' ' 58' ' ' THR . 18.3 mt-10 -52.79 -36.98 59.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.419 ' CD ' ' HD3' ' A' ' 51' ' ' LYS . 8.8 mtp85 -65.6 -25.73 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.479 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 72.1 t-105 -72.19 -39.81 68.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -76.68 -30.61 56.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 54' ' ' GLU . 69.5 p -77.75 -31.73 52.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.3 mtp -56.34 169.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.8 t -113.6 152.33 30.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -43.39 -31.09 1.44 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -67.76 -48.4 66.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.706 0.289 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -71.11 -29.0 64.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 66.3 mttt -72.61 -44.17 62.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' LYS . 69.6 m -35.52 -43.68 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -42.38 -49.83 5.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -91.89 -31.44 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -51.99 -38.78 57.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.46 -44.22 52.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 60.3 mtm -57.82 -47.41 82.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.14 -52.22 65.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.446 ' O ' HG23 ' A' ' 76' ' ' VAL . 23.4 mmtm -43.7 -42.8 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.48 -42.26 62.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.055 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -56.67 -43.83 80.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -62.53 -31.41 72.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 72' ' ' LYS . 95.1 t -77.71 -54.9 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.421 ' HD3' ' C ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -49.52 -35.23 19.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 28.3 t80 -68.43 -55.74 10.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -41.73 -46.76 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 10.3 mtp-105 -63.03 -42.38 99.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -60.82 -38.61 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.6 mmt -63.8 -34.33 77.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -54.08 -55.02 31.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.49 -46.2 73.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -50.72 -59.98 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m -119.31 103.11 9.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -163.59 175.06 11.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.2 112.45 3.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -52.33 125.44 16.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 m -104.82 -46.75 4.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.64 -134.71 12.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ttt -77.57 144.18 37.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.6 136.29 32.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.73 40.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.4 107.09 0.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -149.52 154.72 38.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -34.56 14.4 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.38 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -84.9 -40.88 16.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 36.4 tttp -90.34 139.92 26.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.573 0.702 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.7 Cg_endo -69.74 171.3 14.69 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.87 124.01 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.57 158.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.471 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -76.21 134.31 39.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.0 mtm -124.36 165.35 17.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.8 m -108.27 158.66 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . . . -40.78 -41.69 1.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -57.3 -56.85 16.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.35 -59.28 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -38.69 -49.09 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -55.29 -46.99 76.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.432 HG13 ' HE1' ' A' ' 48' ' ' PHE . 95.9 t -66.76 -49.11 77.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -51.92 65.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 90.7 m -54.85 -43.89 73.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.7 m -60.75 -37.06 80.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.53 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 8.1 mtp-105 -63.03 -48.95 76.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -57.02 -42.46 80.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.56 -39.91 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.412 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 11.8 t60 -64.64 -64.54 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -51.42 -40.22 58.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -51.43 -37.19 47.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 1.2 mptm? -94.52 -58.8 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -108.07 70.53 0.34 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.665 0.745 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.448 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.2 Cg_endo -69.81 -25.83 27.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG3' HG23 ' A' ' 41' ' ' VAL . 9.0 pt-20 -77.98 -29.48 49.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.615 HG13 ' HD2' ' A' ' 42' ' ' PRO . 91.3 t -88.84 137.53 29.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.615 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.72 170.07 17.4 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 43' ' ' VAL . 6.6 p -131.55 92.29 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -53.73 85.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' VAL . 9.9 t80 -38.35 -48.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.03 -47.63 16.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -81.69 -55.19 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.53 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 16.7 t80 -40.92 -38.01 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.76 -46.46 53.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.94 -33.08 10.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -83.12 -31.22 27.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 55' ' ' ARG . 56.1 m -84.57 -65.1 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . 18.9 p -36.72 -49.09 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.64 -38.47 91.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 52' ' ' CYS . 10.5 mtp180 -68.38 -18.31 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -78.29 -40.36 37.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -75.74 -33.33 60.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.2 p -79.35 -5.12 53.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.5 mtp -82.52 156.32 24.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 73.3 m -93.78 162.24 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.39 -35.75 36.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -65.69 -52.05 54.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.14 -39.61 69.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -72.0 -32.41 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 68' ' ' ASP . 19.3 t -40.99 -54.21 2.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 67' ' ' PHE . 16.5 ptmt -43.52 -44.77 6.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.412 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 63.4 m-85 -84.87 -18.59 34.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.423 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 16.0 t0 -68.18 -48.58 64.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -62.99 -38.62 91.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.0 mtm -65.13 -47.91 75.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.33 70.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -48.15 -50.33 29.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.3 -51.99 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.055 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -42.86 -41.41 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -60.84 -43.25 98.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.8 t -70.85 -56.0 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.44 ' O ' ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -47.81 -36.2 11.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.503 ' CE2' ' HG3' ' A' ' 82' ' ' MET . 24.0 t80 -73.51 -49.29 27.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.25 -47.23 18.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -74.77 -53.89 8.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.465 ' CA ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -45.92 -40.08 9.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.503 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 87.6 mmm -75.82 -27.35 57.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -69.35 -26.54 64.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -92.2 -34.88 14.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -64.88 -47.95 75.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m -108.0 104.93 14.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 p -123.5 169.52 11.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.69 161.12 24.71 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 m -136.64 120.28 17.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.826 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 p -48.66 169.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.17 129.71 9.61 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.448 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.2 mtp -104.29 86.9 2.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.61 123.14 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -141.15 155.19 46.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.44 53.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -174.63 143.01 0.8 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.576 0.703 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' LYS . 54.0 Cg_endo -69.78 -47.72 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.311 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.5 ttmt -34.36 -45.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 51.1 tttm -90.23 140.0 27.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.575 0.702 . . . . 0.0 110.9 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.7 Cg_endo -69.73 156.08 64.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 78' ' ' TYR . 17.4 pttt -96.42 129.78 43.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -36.28 139.65 0.3 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -77.98 141.6 38.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.445 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 6.6 mtm -98.2 163.06 12.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 24' ' ' ALA . 49.1 m -104.77 150.53 24.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' CA ' ' HB2' ' A' ' 71' ' ' ALA . . . -36.11 -45.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -56.35 -44.19 79.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 21' ' ' SER . . . -56.77 -54.47 45.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -45.08 -40.37 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.71 -43.28 99.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -66.97 -46.51 84.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -56.37 -41.9 76.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.7 m -64.23 -53.09 54.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.5 t -51.77 -38.68 56.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -63.13 -55.12 27.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -35.4 61.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -64.43 -41.73 96.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -62.01 -44.86 95.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -66.13 -39.24 89.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -48.8 -35.0 13.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 5.3 mptp? -96.94 -54.81 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -109.61 70.06 0.48 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.632 0.729 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.411 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.6 Cg_endo -69.71 -15.14 37.11 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.272 . . . . 0.0 112.331 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.02 32.9 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 42' ' ' PRO . 99.4 t -134.37 138.96 31.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.596 0.712 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.82 153.51 68.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.292 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.581 ' O ' HG13 ' A' ' 43' ' ' VAL . 6.0 p -132.17 93.88 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' PHE . 14.7 m-20 -52.52 86.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' VAL . 7.2 t80 -34.44 -46.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.41 -59.65 3.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.067 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -65.99 -53.41 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.59 ' CE2' ' SG ' ' A' ' 52' ' ' CYS . 70.3 t80 -44.24 -64.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.65 -46.55 7.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -49.13 -37.15 21.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -77.69 -28.64 51.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.59 ' SG ' ' CE2' ' A' ' 48' ' ' PHE . 4.4 m -80.79 -65.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.1 p -44.68 -51.44 9.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.881 ' O ' HG23 ' A' ' 58' ' ' THR . 11.5 mt-10 -57.13 -30.99 64.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -78.53 -25.7 45.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -66.4 -47.49 73.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -68.78 -33.47 73.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.881 HG23 ' O ' ' A' ' 54' ' ' GLU . 33.0 p -73.04 -32.57 65.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.4 mtp -58.79 160.5 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.8 m -109.99 157.45 19.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -45.88 -33.98 5.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 10.7 ptpp? -63.37 -44.08 95.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 37.9 mm-40 -78.74 -31.35 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' SER . 60.7 mttt -71.03 -40.47 71.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 64' ' ' LYS . 13.9 m -35.7 -45.51 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -43.55 -47.98 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -90.26 -28.6 18.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -52.23 -42.94 64.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -66.74 -52.22 46.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.0 mtm -51.87 -38.25 55.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.416 ' HB2' ' CA ' ' A' ' 22' ' ' ALA . . . -67.89 -47.71 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -42.66 -35.29 1.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.02 -35.76 16.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.1 OUTLIER -45.12 -43.03 9.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 17.7 ttpt -69.32 -45.04 70.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.469 HG13 ' HD3' ' A' ' 80' ' ' ARG . 86.1 t -58.53 -44.4 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -55.59 -61.11 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 34.4 t80 -64.07 -57.78 8.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 78' ' ' TYR . 27.4 t70 -36.62 -59.87 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.469 ' HD3' HG13 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -59.41 -33.35 71.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 78' ' ' TYR . 21.2 mm-40 -70.19 -29.76 66.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.2 mmt -72.74 -29.81 63.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -61.94 -41.39 97.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.78 -45.56 57.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -63.38 -59.2 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.504 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 p -49.59 115.91 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -66.98 130.57 43.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.55 -170.8 40.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.1 p -92.16 111.43 22.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.823 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t 49.93 29.23 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.25 146.37 44.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mtm -45.21 165.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.54 112.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 10' ' ' LYS . 1.2 pptp? -148.11 164.69 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.86 -173.78 13.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.455 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -104.16 148.36 35.79 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.597 0.713 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -2.73 10.71 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -88.91 -50.4 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -53.79 150.05 15.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 110.926 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 126.17 13.0 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' GLY . 49.5 tttm -54.86 128.5 33.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -36.98 124.16 0.97 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.535 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -73.56 141.8 46.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.779 0.323 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.442 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 5.9 mtm -111.97 155.77 23.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.7 m -98.55 156.95 16.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.03 -40.44 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -63.58 -53.69 47.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.25 -52.25 59.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 15.8 m-85 -47.9 -42.06 26.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -60.05 -37.56 80.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -69.7 -48.47 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -61.71 -44.08 97.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.2 m -60.58 -58.4 8.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.09 -43.26 30.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 23.5 mtp180 -58.52 -54.31 48.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -55.49 -36.64 66.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -72.2 -39.98 68.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.425 ' NE2' ' HB ' ' A' ' 43' ' ' VAL . 12.7 t60 -55.72 -39.5 71.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -72.39 -40.6 67.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.19 -36.51 52.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -95.21 -53.84 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -110.76 67.11 0.53 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.5 Cg_endo -69.72 -18.15 37.34 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -108.8 26.48 10.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.42 HG13 ' HD2' ' A' ' 42' ' ' PRO . 44.1 t -126.39 132.88 24.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.8 139.3 39.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 43' ' ' VAL . 7.3 p -118.21 99.05 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 45' ' ' PHE . 79.2 m-20 -64.13 87.98 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 44' ' ' ASN . 6.9 t80 -36.26 -46.43 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.89 -46.88 43.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 44' ' ' ASN . 8.0 mt-10 -79.25 -58.3 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.46 ' O ' ' CG ' ' A' ' 51' ' ' LYS . 43.3 t80 -42.75 -43.8 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -51.94 50.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -45.87 -32.83 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -88.69 -29.11 20.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 53' ' ' SER . 1.4 p -59.07 -44.81 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.495 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 4.4 t -68.99 -53.85 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 58' ' ' THR . 4.9 mm-40 -59.17 -24.84 63.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -80.05 -33.02 39.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.511 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 69.6 t-105 -63.12 -47.86 80.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -62.28 -31.32 71.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 54' ' ' GLU . 80.9 p -77.59 -29.62 52.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 67.1 mtp -62.52 149.03 44.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -103.92 161.86 13.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.09 -37.2 10.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -58.81 -31.38 68.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -91.64 -47.02 7.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 75.3 mttt -56.75 -35.99 69.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -34.86 -60.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -38.7 -50.02 1.61 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -90.0 -10.55 44.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' SER . 4.9 t70 -72.91 -36.96 67.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -79.64 -43.06 23.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 67.4 mtm -58.36 -46.13 86.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.7 68.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.613 ' O ' HG23 ' A' ' 76' ' ' VAL . 39.6 mmtt -51.98 -39.0 58.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.9 -41.59 22.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.09 -42.05 80.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -66.41 -44.5 82.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 72' ' ' LYS . 94.0 t -62.7 -50.71 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 3.9 tmm_? -51.39 -45.33 62.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -64.07 -49.57 71.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.51 -46.47 70.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -64.56 -45.62 86.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -62.93 -36.54 83.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.4 mmt -62.88 -31.77 72.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -61.42 -51.44 68.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.51 -42.78 61.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -56.79 -61.85 2.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.472 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' SER . 90.5 p -121.04 148.67 43.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . 31.5 t -38.57 112.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.23 62.45 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 m -125.03 107.21 10.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 p -46.43 155.35 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.97 150.92 4.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.2 ttt 57.94 41.79 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.35 160.27 29.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -99.77 116.24 31.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.32 100.15 2.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -78.34 144.04 65.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.591 0.71 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -3.68 12.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.359 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -95.23 -45.72 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.453 ' CD ' ' HD2' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -58.14 137.63 84.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.568 0.699 . . . . 0.0 110.907 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.467 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 53.9 Cg_endo -69.72 141.39 45.28 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.388 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' GLY . 23.9 tptt -83.3 134.21 34.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -34.39 138.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.547 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 8.5 mtmp? -70.85 134.41 47.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.726 0.298 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.553 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 8.6 mtm -123.48 159.25 29.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' ALA . 5.6 m -105.53 158.71 16.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -36.13 -48.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.465 ' O ' HG23 ' A' ' 27' ' ' VAL . 18.5 t80 -57.12 -44.88 83.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.553 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -59.34 -50.93 72.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -50.53 -50.82 52.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.452 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 45.9 t80 -51.86 -35.38 44.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 23' ' ' TYR . 59.0 t -67.3 -55.47 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -50.99 -47.99 61.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.2 m -58.85 -62.15 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 30.9 m -44.21 -32.12 1.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.541 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 38.4 mtp180 -71.89 -47.92 49.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -55.75 -38.66 70.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.86 -38.38 90.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.572 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 11.6 t60 -67.32 -37.27 83.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -78.4 -28.06 46.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -64.83 -31.78 73.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -100.71 -49.08 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -117.0 68.16 4.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -26.33 27.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.657 2.238 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -76.57 -34.78 58.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.415 HG13 ' HD2' ' A' ' 42' ' ' PRO . 97.6 t -81.32 132.31 56.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.638 0.732 . . . . 0.0 111.184 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.415 ' HD2' HG13 ' A' ' 41' ' ' VAL . 54.2 Cg_endo -69.72 156.38 63.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.394 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.572 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 3.4 p -116.69 107.17 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -65.95 85.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -39.91 -49.99 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.47 -48.97 10.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' SER . 23.2 mm-40 -82.87 -57.9 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.541 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 3.2 t80 -39.44 -28.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -78.75 -45.88 20.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.1 tmmt? -49.32 -28.75 5.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -22.19 24.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.496 ' SG ' ' N ' ' A' ' 53' ' ' SER . 1.3 p -68.79 -44.55 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.496 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 3.2 t -61.21 -54.46 44.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.601 ' O ' HG23 ' A' ' 58' ' ' THR . 12.2 mm-40 -57.87 -32.18 67.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 mtp85 -75.13 -25.81 58.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.405 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 75.9 t-105 -78.13 -47.29 18.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -66.27 -36.13 82.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 54' ' ' GLU . 74.2 p -75.83 -23.72 55.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 26.4 mtp -69.73 148.52 49.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.6 t -91.87 164.81 13.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.1 -26.62 12.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -49.49 47.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.73 0.3 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -67.49 -19.51 65.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 65' ' ' SER . 70.5 mttt -89.47 -43.18 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' LYS . 55.5 m -37.64 -49.57 1.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -41.41 -48.89 3.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -86.02 -23.15 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -59.69 -36.72 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -78.96 -32.27 45.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.0 mtm -70.77 -33.93 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.56 87.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -64.36 -43.52 94.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.99 -28.09 68.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -70.59 -24.87 62.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -83.42 -45.33 13.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.03 -33.66 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -73.25 -48.0 38.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.467 ' CD2' ' HB2' ' A' ' 16' ' ' PRO . 19.5 t80 -67.02 -41.02 87.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.35 -54.0 30.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -64.36 -56.39 14.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.463 ' CA ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -50.97 -17.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.409 ' CG ' ' CE1' ' A' ' 78' ' ' TYR . 10.7 mmt -86.98 -38.23 16.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -74.46 -15.41 60.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -98.5 -27.11 14.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -83.91 -42.62 16.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.0 t -114.26 145.49 41.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.8 p -154.75 121.52 5.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.84 62.0 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -116.75 153.27 32.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -102.71 -44.78 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.31 156.94 15.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptm -73.22 -44.0 60.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.729 0.3 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.17 78.71 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.33 145.08 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.68 103.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -117.8 149.78 45.85 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.588 0.708 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -50.2 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.39 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -51.31 -40.49 59.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.477 ' CD ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -91.98 139.09 24.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.899 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.477 ' HD2' ' CD ' ' A' ' 15' ' ' LYS . 53.9 Cg_endo -69.79 136.42 32.87 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -52.24 117.72 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.82 162.31 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.439 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -62.32 115.0 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 45.1 mtp -92.11 137.73 32.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.9 m -93.25 154.15 18.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.62 -42.22 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -55.69 -48.32 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.08 -58.79 6.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.062 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -40.34 -42.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.85 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.59 HG13 ' HE1' ' A' ' 48' ' ' PHE . 91.2 t -64.58 -50.32 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -57.64 -48.15 80.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.1 m -56.23 -59.59 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 t -50.38 -38.08 40.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.538 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 54.7 mtm180 -61.79 -52.31 64.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -56.89 -44.7 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.49 -37.49 81.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -61.21 -47.08 87.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 30.5 tttt -71.34 -56.47 5.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' LYS . 16.9 mmmt -35.2 -36.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' LYS . 52.9 mttm -94.77 -60.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -108.18 73.26 0.44 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.643 0.735 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.5 Cg_endo -69.79 -31.63 20.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HG3' HG23 ' A' ' 41' ' ' VAL . 11.8 pt-20 -68.85 -39.18 80.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.438 HG23 ' HG3' ' A' ' 40' ' ' GLU . 95.9 t -82.61 123.39 78.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -179.67 3.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.284 . . . . 0.0 112.358 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 43' ' ' VAL . 3.5 p -141.31 105.0 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' PHE . 8.5 t30 -58.43 81.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 43' ' ' VAL . 17.0 t80 -36.78 -54.61 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -38.89 -44.34 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' SER . 8.8 mt-10 -88.28 -58.81 2.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.59 ' HE1' HG13 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -41.2 -26.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -77.55 -44.96 26.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.822 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 47' ' ' GLU . 2.4 tppp? -59.27 -34.38 72.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -21.73 43.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.521 ' HB3' HG22 ' A' ' 27' ' ' VAL . 2.1 m -84.19 -55.09 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 76.1 p -50.49 -46.96 57.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.72 ' O ' HG23 ' A' ' 58' ' ' THR . 17.2 mt-10 -65.81 -37.78 87.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -65.6 -23.63 66.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -70.76 -47.0 61.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -69.61 -34.9 74.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 54' ' ' GLU . 39.1 p -70.69 -27.08 63.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.3 mtp -61.44 163.98 6.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -107.21 152.99 23.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -36.77 -44.16 0.9 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -61.49 -55.02 35.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.322 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.23 -29.48 61.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' SER . 72.8 mttt -77.87 -39.94 41.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.438 ' HA ' ' CB ' ' A' ' 68' ' ' ASP . 14.7 m -34.99 -51.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.558 ' HD2' ' CZ ' ' A' ' 67' ' ' PHE . 1.5 tmtp? -39.68 -50.77 2.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.558 ' CZ ' ' HD2' ' A' ' 66' ' ' LYS . 33.2 m-85 -92.24 -14.47 28.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' CB ' ' HA ' ' A' ' 65' ' ' SER . 9.1 t0 -66.55 -38.59 87.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -81.49 -25.02 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.494 ' HE1' ' HE2' ' A' ' 66' ' ' LYS . 49.1 mtm -78.97 -27.07 43.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.26 -31.21 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -66.3 -36.06 81.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.88 -39.95 25.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -38.98 -42.57 0.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -56.12 -46.18 79.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.49 -52.53 60.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.3 tmm_? -53.12 -48.32 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -59.05 -48.14 82.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -48.89 -44.53 40.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.807 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -67.13 -33.83 76.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -70.86 -34.8 72.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.9 mmt -64.65 -31.41 72.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -64.86 -55.2 20.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.89 -49.25 78.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -56.85 -52.11 66.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -68.16 132.41 47.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 p -156.93 162.79 39.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.64 -65.11 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 m -41.5 135.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.886 0.374 . . . . 0.0 110.794 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 t -118.04 81.27 1.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.95 81.38 1.76 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.8 tpt -39.48 110.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 10' ' ' LYS . . . -167.07 110.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -37.43 151.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -102.05 122.33 7.51 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.53 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -45.93 150.8 0.96 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.624 0.726 . . . . 0.0 110.826 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -50.43 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -84.64 58.14 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.478 ' CD ' ' HD2' ' A' ' 16' ' ' PRO . 7.8 tppt? -151.76 138.63 12.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.708 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.478 ' HD2' ' CD ' ' A' ' 15' ' ' LYS . 54.0 Cg_endo -69.77 142.17 47.15 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.658 2.238 . . . . 0.0 112.321 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 18' ' ' GLY . 7.6 tppt? -69.6 112.17 5.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -34.31 150.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -61.0 125.7 24.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 71.8 mtp -106.36 157.12 17.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 m -112.81 156.11 23.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.66 -52.69 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -50.18 -51.49 43.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' PHE . . . -51.64 -63.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' ALA . 45.6 m-85 -38.22 -48.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.63 -44.96 73.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 24' ' ' ALA . 95.6 t -65.95 -42.43 91.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -61.7 -52.83 62.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.6 m -47.18 -57.75 4.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.0 m -50.04 -47.23 53.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 40.6 mtp180 -52.81 -51.09 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -62.69 -42.98 99.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -57.7 -20.09 31.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -90.56 -46.65 8.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -68.27 -51.63 42.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -39.52 -37.69 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.428 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 9.6 mmtm -94.94 -58.48 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -107.47 72.21 0.34 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.428 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.4 Cg_endo -69.69 -28.38 25.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.361 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.466 ' HG3' HG23 ' A' ' 41' ' ' VAL . 13.9 pt-20 -73.33 -34.79 65.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.466 HG23 ' HG3' ' A' ' 40' ' ' GLU . 90.3 t -86.16 123.47 71.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.729 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 175.82 7.56 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -132.63 118.45 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' PHE . 4.8 m-80 -66.86 77.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' ASN . 14.1 t80 -34.88 -50.09 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.97 -48.54 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -85.14 -52.75 5.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 20.1 t80 -45.02 -25.54 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -82.57 -43.4 17.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -56.18 -26.65 51.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -33.46 15.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.3 m -69.62 -57.94 4.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.7 t -53.37 -54.76 32.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.872 ' O ' HG23 ' A' ' 58' ' ' THR . 35.2 mm-40 -55.26 -26.6 40.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -79.75 -28.5 40.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -65.25 -49.5 69.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -65.14 -30.02 70.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.872 HG23 ' O ' ' A' ' 54' ' ' GLU . 60.2 p -73.56 -35.5 65.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.1 mtm -63.3 149.02 46.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.2 p -96.69 160.29 14.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.01 -38.98 2.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -55.2 -39.03 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -80.36 -54.31 5.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 65' ' ' SER . 69.3 mttt -51.4 -42.13 61.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -34.95 -53.12 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' HD3' ' CE ' ' A' ' 70' ' ' MET . 0.6 OUTLIER -40.75 -47.15 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -88.11 -24.23 23.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -55.84 -37.9 69.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -75.26 -45.08 42.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.432 ' CE ' ' HD3' ' A' ' 66' ' ' LYS . 20.2 mtm -53.78 -52.83 59.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.18 79.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.074 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -46.75 -46.54 20.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -74.51 -45.06 48.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -41.82 -24.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' ALA . 6.7 ttpm? -77.21 -53.94 7.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 p -64.26 -29.31 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -72.37 -45.42 59.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -71.43 -47.1 58.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -45.03 -57.28 3.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.9 mtm105 -53.16 -48.37 68.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -53.22 -36.84 61.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.8 mmt -67.75 -29.35 68.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -69.79 -50.03 47.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.84 -45.95 73.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -53.32 -54.15 40.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 1' ' ' GLY . 72.2 m 35.24 42.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -46.79 120.2 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.94 -122.97 1.23 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -159.21 155.97 28.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 m -97.51 151.8 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.31 -53.28 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.535 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.2 mtt -123.51 136.14 54.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.772 0.32 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.49 105.25 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -83.21 119.91 25.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.4 -175.93 19.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -79.93 148.92 69.43 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.613 0.72 . . . . 0.0 110.829 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -47.77 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -69.09 -46.35 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 11.7 ttpp -48.6 138.43 11.87 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.919 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.9 Cg_endo -69.73 150.06 67.89 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.392 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.6 OUTLIER -127.56 175.33 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.86 149.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -91.07 121.55 32.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.4 mtp -72.58 137.62 46.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.5 m -94.34 157.74 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.24 -43.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -58.06 -59.89 4.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.38 -47.44 13.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.065 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -51.07 -43.5 61.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 34.2 t80 -60.52 -36.58 78.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.5 t -72.29 -39.34 63.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -66.33 -48.52 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.1 m -56.54 -58.48 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.0 m -48.08 -42.23 28.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.588 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 9.5 mtp-105 -58.74 -55.35 36.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -52.47 -41.33 63.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -59.9 -40.79 89.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.5 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 10.8 t60 -59.09 -52.43 65.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' LYS . 23.4 tttt -64.28 -52.08 60.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' LYS . 32.0 mtpt -37.87 -32.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.454 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 9.6 mptt -98.65 -59.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -108.6 74.43 0.54 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -30.54 22.37 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.375 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.75 -29.75 58.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.3 t -87.3 126.28 62.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 155.63 65.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.5 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 2.4 p -111.2 109.87 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' PHE . 10.0 t-20 -64.76 79.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' ASN . 19.1 t80 -37.89 -56.44 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . -37.12 -44.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 49' ' ' SER . 10.8 mm-40 -88.12 -55.46 3.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 7.8 t80 -41.93 -25.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.8 t -81.51 -42.47 20.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -60.1 -28.94 68.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -26.47 25.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.4 ' SG ' ' CE1' ' A' ' 48' ' ' PHE . 36.3 m -77.41 -51.38 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.7 p -51.45 -50.53 59.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 58' ' ' THR . 4.7 mm-40 -61.66 -35.85 79.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -73.38 -14.49 61.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.475 ' CZ2' ' HD3' ' A' ' 64' ' ' LYS . 72.6 t-105 -85.23 -51.49 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -64.38 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 54' ' ' GLU . 74.9 p -72.97 -34.71 66.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.5 mtp -55.48 169.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 63' ' ' GLU . 2.8 m -118.64 143.74 46.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -34.57 -36.0 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' SER . 62.5 tttt -63.12 -46.35 87.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' SER . 29.8 mm-40 -71.53 -36.23 70.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.475 ' HD3' ' CZ2' ' A' ' 56' ' ' TRP . 37.0 mttp -68.0 -28.74 67.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 m -41.37 -43.5 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.423 ' CG ' ' N ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -52.53 -45.2 66.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.423 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 78.6 m-85 -82.42 -17.75 44.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -71.06 -44.35 65.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -66.43 -45.41 79.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.0 mtm -59.06 -42.94 91.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.02 95.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -46.67 -48.49 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.43 94.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -45.94 -44.71 14.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -61.44 -47.65 84.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.5 t -53.67 -48.66 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 78' ' ' TYR . 5.3 tmm_? -47.31 -53.89 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.434 ' N ' ' HD2' ' A' ' 77' ' ' ARG . 1.4 t80 -52.23 -53.76 39.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -49.62 -57.23 7.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -51.87 -45.23 64.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.89 -29.87 69.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.5 mmt -78.14 -27.0 48.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -62.31 -37.28 84.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.38 -36.56 19.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -68.58 -55.57 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -62.2 -53.24 58.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -86.63 146.43 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.04 70.48 0.12 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -41.9 151.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -67.08 135.74 54.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.46 101.46 0.2 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ttt -91.39 109.59 20.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.342 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.86 104.96 12.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -68.67 -54.56 15.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.6 -111.9 3.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -107.54 142.63 25.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.836 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -26.55 27.23 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.658 2.238 . . . . 0.0 112.336 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 47.48 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -125.36 129.32 24.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.586 0.708 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.497 ' HG2' ' HE1' ' A' ' 82' ' ' MET . 53.8 Cg_endo -69.73 124.49 11.15 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.668 2.246 . . . . 0.0 112.376 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -78.37 148.46 33.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . -50.43 151.18 5.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.439 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -77.53 141.55 39.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 63.1 mtp -90.12 138.68 31.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' ALA . 64.1 m -96.88 156.09 16.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.555 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . . . -33.66 -50.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -55.81 -51.02 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.25 -57.06 9.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -46.98 -42.38 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.468 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 45.9 t80 -62.3 -44.26 96.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.406 HG12 ' HE ' ' A' ' 31' ' ' ARG . 73.1 t -66.02 -52.22 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.168 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -55.62 -44.28 76.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -52.36 -55.95 18.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.8 m -57.05 -34.36 68.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 45.7 mtm180 -66.0 -47.92 72.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -65.13 -41.28 94.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -62.52 -39.71 94.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -63.14 -46.08 88.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -68.08 -33.61 74.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -58.78 -32.32 69.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 1.0 OUTLIER -96.62 -53.17 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.609 ' CB ' HG12 ' A' ' 41' ' ' VAL . 15.0 m-20 -110.93 68.35 0.59 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.588 0.709 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.75 -9.76 26.9 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.674 2.25 . . . . 0.0 112.36 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.59 -25.04 15.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.609 HG12 ' CB ' ' A' ' 38' ' ' ASN . 1.8 p -90.88 136.36 27.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.578 0.704 . . . . 0.0 111.162 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.458 ' HD2' ' CG2' ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.8 174.59 9.33 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 43' ' ' VAL . 4.5 p -140.51 106.31 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' PHE . 7.2 m-20 -69.16 87.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' ASN . 13.7 t80 -37.31 -53.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.47 -55.15 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -74.52 -56.39 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 10.3 t80 -42.38 -32.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.93 -40.37 60.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -32.58 61.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 4.3 pttt -81.29 -31.4 33.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.473 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 60.3 m -76.48 -59.99 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.0 p -45.54 -44.29 12.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.929 ' O ' HG23 ' A' ' 58' ' ' THR . 20.5 mt-10 -69.2 -40.0 78.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -61.21 -32.12 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.425 ' NE1' ' HE2' ' A' ' 64' ' ' LYS . 73.7 t-105 -71.08 -59.71 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -53.73 -29.3 38.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.929 HG23 ' O ' ' A' ' 54' ' ' GLU . 63.4 p -73.45 -24.67 60.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.401 ' SD ' ' HB3' ' A' ' 63' ' ' GLU . 9.1 mmm -48.53 178.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -122.66 30.64 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.42 -64.9 1.37 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -52.07 -21.95 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 38.6 mm-40 -85.97 -32.85 21.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 65' ' ' SER . 92.5 mttt -61.72 -37.91 85.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.1 m -35.62 -51.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 65' ' ' SER . 12.5 tttt -37.47 -47.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 40.4 m-85 -92.63 -28.49 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.555 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 4.0 t70 -56.85 -38.39 72.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.74 -50.64 28.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 30.9 mtm -51.49 -34.56 36.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.04 -45.51 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -46.93 17.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.8 -54.64 24.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -46.96 -41.26 15.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.32 -45.8 92.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.5 t -56.2 -40.18 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -63.39 -53.43 52.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.542 ' CZ ' ' SD ' ' A' ' 82' ' ' MET . 44.8 t80 -59.05 -35.5 73.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.05 -58.13 9.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -63.12 -33.4 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.89 -45.23 94.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.542 ' SD ' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -57.92 -36.63 72.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -61.34 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -60.8 -46.05 92.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -62.28 -68.57 0.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -55.48 133.91 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 m -143.68 126.72 16.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.31 93.26 0.45 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.442 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -158.61 157.54 32.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -82.55 -59.03 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.07 -140.48 14.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -133.14 118.99 19.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.7 173.03 9.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -68.12 170.22 8.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.17 -97.44 0.13 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.522 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.83 144.56 46.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -33.76 16.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -74.18 62.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 15.0 ttpt -159.44 139.83 8.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.551 0.691 . . . . 0.0 110.911 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 15' ' ' LYS . 53.6 Cg_endo -69.79 156.11 64.09 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.26 26.12 5.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . 87.15 169.56 45.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -84.09 136.37 34.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.769 0.318 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.486 ' SD ' ' HB1' ' A' ' 24' ' ' ALA . 14.6 mmm -104.88 147.33 27.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -108.4 159.37 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.5 -44.08 35.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.046 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.467 ' HB2' ' NE1' ' A' ' 56' ' ' TRP . 3.5 t80 -56.65 -46.91 80.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -55.3 -59.64 4.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -39.71 -50.19 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -53.21 -41.96 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.6 -51.47 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -52.21 -45.99 65.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.8 m -55.34 -52.74 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.5 m -55.78 -37.63 68.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.55 ' HG3' ' CE2' ' A' ' 48' ' ' PHE . 18.7 mtp180 -62.35 -53.51 53.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -54.44 -36.58 64.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -69.05 -33.42 73.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.474 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 11.7 t60 -67.56 -45.3 76.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 35' ' ' LYS . 9.1 tmtt? -70.12 -38.71 75.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -52.92 -26.53 15.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -104.27 -55.56 2.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.11 73.91 2.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -35.77 12.0 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.2 -33.0 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.44 HG13 ' HD2' ' A' ' 42' ' ' PRO . 77.8 t -82.89 133.4 48.73 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.646 0.736 . . . . 0.0 111.151 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.44 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.73 171.32 14.65 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.709 2.273 . . . . 0.0 112.309 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.612 ' O ' HG13 ' A' ' 43' ' ' VAL . 7.2 p -128.61 101.69 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLU . 27.3 m-20 -60.69 82.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' ASN . 15.2 t80 -35.01 -53.31 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.85 -44.32 14.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' LYS . 7.8 mt-10 -85.04 -59.45 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.55 ' CE2' ' HG3' ' A' ' 31' ' ' ARG . 12.1 t80 -38.22 -35.95 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -71.04 -43.56 67.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.5 tppp? -47.51 -35.93 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -82.79 -29.29 29.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 18.1 m -90.01 -66.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 49' ' ' SER . 99.2 p -38.93 -54.45 1.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -57.69 -38.87 75.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' CYS . 37.3 mtt180 -67.04 -17.4 64.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.467 ' NE1' ' HB2' ' A' ' 23' ' ' TYR . 73.4 t-105 -80.6 -55.45 4.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -57.26 -28.95 63.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.934 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.6 p -78.17 -31.4 49.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.3 mtp -61.31 156.59 18.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 m -108.0 157.64 18.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -45.11 -40.82 7.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -57.54 -47.39 82.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -70.53 -51.05 31.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -55.65 -19.81 11.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.7 p -47.86 -48.54 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.485 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 19.1 ptmt -46.77 -44.42 19.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.485 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 85.1 m-85 -85.23 -9.98 57.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -74.86 -52.84 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.94 -39.34 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 40.4 mtm -61.63 -53.01 61.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.02 -41.84 68.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -47.11 -47.11 23.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.94 -40.21 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.04 -32.71 35.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -66.67 -35.96 81.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.83 -48.75 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -58.74 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.526 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 68.8 t80 -48.97 -47.29 44.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.91 -44.99 87.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -64.32 -40.48 95.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.56 -37.27 82.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.1 mmt -62.27 -29.6 70.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -65.98 -53.65 36.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.74 -46.44 72.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.472 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 7.9 t80 -56.84 -47.64 79.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -70.04 169.47 13.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.4 t -98.12 92.6 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.68 126.9 0.96 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -90.94 -49.6 6.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -139.33 156.16 47.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.4 -101.27 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.8 tpp -68.55 120.46 14.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.88 105.97 14.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -136.62 176.17 8.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.64 -125.54 8.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 4.5 t70 -127.41 140.22 37.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 53.4 Cg_endo -69.83 -35.59 12.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -44.49 -42.95 7.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -59.12 137.2 88.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.611 0.719 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.451 ' CG ' ' SD ' ' A' ' 82' ' ' MET . 53.8 Cg_endo -69.79 171.52 14.36 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 78' ' ' TYR . 67.1 tttt -81.34 123.76 28.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.22 164.29 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.582 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 16.2 mttp -78.4 133.79 37.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 56.4 mtp -117.95 151.78 36.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 m -98.54 153.07 18.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -37.63 -39.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -63.71 -55.41 23.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.65 -51.74 20.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -46.19 -44.08 15.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -61.2 -48.49 81.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.5 -42.81 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -65.68 -46.92 77.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.7 m -57.36 -53.39 58.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.4 m -54.93 -36.76 65.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.591 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 10.2 mtp-105 -65.06 -54.21 33.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -50.73 -35.6 32.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -68.16 -39.79 82.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.536 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 10.2 t60 -62.24 -50.24 72.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -65.81 -59.05 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' LYS . 40.0 mtpt -34.84 -33.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' LYS . 37.7 mmtt -94.88 -61.81 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -107.79 76.82 0.59 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -32.08 19.26 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.14 -31.88 64.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.2 t -86.3 122.25 72.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 165.5 30.81 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.536 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 3.6 p -121.69 107.59 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' PHE . 1.9 m-20 -60.45 76.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 43' ' ' VAL . 10.5 t80 -35.53 -56.04 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -39.26 -46.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.058 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' SER . 6.1 mt-10 -86.54 -57.46 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.591 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 14.0 t80 -41.04 -24.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.1 t -81.64 -41.98 20.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -57.85 -27.05 62.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -32.99 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.0 m -71.27 -48.64 49.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 p -54.09 -56.52 17.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 58' ' ' THR . 72.8 mt-10 -53.18 -41.62 65.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -61.9 -25.96 67.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -71.56 -45.19 62.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -72.31 -30.13 64.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 54' ' ' GLU . 68.5 p -76.63 -30.25 56.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtp -59.49 167.27 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 61' ' ' GLY . 2.6 t -116.77 150.01 38.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -34.35 -37.45 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 60' ' ' SER . 12.4 mmtp -60.55 -57.27 13.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.713 0.292 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -63.13 -35.36 80.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 65' ' ' SER . 54.6 mttt -67.36 -43.53 81.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 64' ' ' LYS . 2.7 t -35.04 -46.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -40.16 -49.73 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -92.6 -28.97 16.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.58 -27.41 26.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -86.08 -40.32 15.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 26.7 mtm -61.34 -45.83 92.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.1 98.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -52.24 -35.1 48.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -86.01 -42.57 13.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -36.87 -29.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 73' ' ' ALA . 9.0 ttpt -71.76 -52.45 17.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 p -66.4 -36.83 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -63.75 -56.89 12.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 17' ' ' LYS . 21.4 t80 -62.04 -49.01 77.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -53.93 -50.48 66.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -61.74 -16.74 51.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -95.26 -31.11 13.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.451 ' SD ' ' CG ' ' A' ' 16' ' ' PRO . 79.4 mmm -80.94 -27.63 36.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -68.52 -26.25 65.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -97.03 -27.73 14.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -75.03 -43.84 51.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 m -123.08 110.63 15.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.876 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -119.65 174.82 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.5 172.04 29.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 t -149.26 163.38 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -111.46 161.87 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.97 -52.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.6 ptp -110.76 157.53 19.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.731 0.3 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.26 85.76 3.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.076 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -153.25 148.99 27.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.3 121.37 0.82 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -95.89 153.63 39.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.563 0.697 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -12.76 33.61 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.758 2.305 . . . . 0.0 112.355 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -93.69 -41.93 9.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -93.86 137.64 23.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.6 0.714 . . . . 0.0 110.941 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 159.02 54.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.8 pttp -129.7 22.67 5.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.84 155.14 30.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.444 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HB3' ' CG ' ' A' ' 78' ' ' TYR . 11.3 pttm -110.7 124.32 51.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.528 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 4.9 mtp -83.56 154.91 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.57 178.62 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' HB1' ' HH2' ' A' ' 56' ' ' TRP . . . -49.75 -38.85 35.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -67.43 -50.91 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.528 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -57.2 -53.06 62.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -48.08 -41.12 25.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -63.07 -52.01 64.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.2 -46.18 84.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -60.14 -63.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.8 m -41.75 -44.58 3.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.45 -48.57 79.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.489 ' NH2' ' CD1' ' A' ' 45' ' ' PHE . 16.1 mtt180 -52.6 -49.18 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -61.15 -43.29 99.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -62.58 -16.76 57.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.421 ' CD2' ' HB ' ' A' ' 43' ' ' VAL . 5.3 t60 -90.14 -49.53 6.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -67.87 -54.35 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -38.74 -35.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 11.4 mtmm -93.03 -56.78 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -108.97 69.15 0.38 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.449 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.7 Cg_endo -69.74 -14.47 36.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.643 2.229 . . . . 0.0 112.355 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -89.35 -22.8 22.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -95.94 130.72 30.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 173.53 10.81 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.659 2.24 . . . . 0.0 112.368 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' PHE . 2.7 p -134.55 97.87 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -54.36 83.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' VAL . 12.0 t80 -40.01 -55.35 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.5 -42.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -89.19 -61.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 5.1 t80 -39.16 -32.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -47.01 27.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -56.75 -34.2 67.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -80.3 -32.68 38.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 2.5 m -66.99 -43.15 83.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -60.53 -60.06 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 58' ' ' THR . 19.6 mt-10 -51.43 -31.89 24.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.9 mtt-85 -71.39 -28.38 63.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.417 ' HH2' ' HB1' ' A' ' 22' ' ' ALA . 76.8 t-105 -69.65 -46.69 65.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -66.4 -30.91 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 54' ' ' GLU . 80.3 p -77.13 -30.3 55.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.9 mtp -56.18 158.1 4.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -104.12 152.01 22.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.56 -30.75 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -57.47 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -58.79 -28.13 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 65' ' ' SER . 67.6 mttt -77.38 -43.53 32.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 64' ' ' LYS . 31.5 t -35.11 -49.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -37.45 -51.01 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -90.2 -41.21 11.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -41.85 -30.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -88.67 -41.48 12.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.5 mtm -61.67 -22.36 65.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.13 -50.02 17.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.87 -39.7 40.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.63 -53.65 12.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -46.96 -41.7 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -55.84 -45.99 78.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.617 HG12 ' NE ' ' A' ' 80' ' ' ARG . 65.8 t -51.33 -61.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.441 ' HD2' ' CD ' ' A' ' 81' ' ' GLU . 9.1 tpp180 -45.95 -61.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.55 ' CZ ' ' SD ' ' A' ' 82' ' ' MET . 23.4 t80 -50.09 -56.53 10.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.413 ' C ' ' OD1' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -39.63 -60.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.617 ' NE ' HG12 ' A' ' 76' ' ' VAL . 1.2 mpp_? -57.0 -41.43 78.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.441 ' CD ' ' HD2' ' A' ' 77' ' ' ARG . 30.7 mt-10 -59.6 -38.82 82.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.55 ' SD ' ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -65.35 -32.11 73.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -71.81 -41.23 68.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.36 -43.13 52.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -73.51 -55.42 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 m -110.91 172.6 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 110.902 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 p -78.64 -44.9 22.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.93 112.92 3.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.527 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -58.75 166.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -149.76 129.46 13.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.5 -143.55 17.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.79 173.16 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.91 108.99 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HE2' ' N ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -70.07 164.02 24.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -49.32 157.88 1.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.31 161.1 31.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.414 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 54.0 Cg_endo -69.7 6.76 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.381 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 63.41 46.83 4.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 27.0 ttpt -93.6 140.1 23.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.56 0.695 . . . . 0.0 110.91 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.498 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 54.2 Cg_endo -69.7 113.62 3.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -102.26 87.01 2.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.514 ' HA2' ' CZ ' ' A' ' 78' ' ' TYR . . . 41.66 -163.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 8.3 mtmp? -114.24 134.79 54.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.6 mtp -85.6 136.31 33.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 m -99.83 152.54 20.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.65 -46.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -50.02 -57.92 6.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.37 -57.27 4.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.092 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 70' ' ' MET . 26.3 m-85 -40.93 -48.86 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -54.48 -43.11 71.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.94 -52.68 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -55.95 -61.04 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 m -49.39 -50.34 40.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.5 m -53.54 -40.8 65.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -61.45 -52.68 63.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -29.85 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -69.76 -45.19 68.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -62.33 -43.55 98.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -73.08 -43.61 61.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.41 -30.55 8.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -99.32 -47.54 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.571 ' CB ' HG12 ' A' ' 41' ' ' VAL . 18.8 m-20 -115.07 66.38 1.96 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.642 0.734 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -5.58 16.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -102.51 -21.65 14.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.571 HG12 ' CB ' ' A' ' 38' ' ' ASN . 1.8 p -93.7 136.73 23.68 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.476 ' HD2' HG22 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.78 171.19 14.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.366 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 45' ' ' PHE . 2.2 p -141.59 106.33 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' PHE . 2.8 m120 -59.64 79.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' VAL . 29.5 t80 -35.51 -53.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.42 -44.71 17.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' ASN . 3.3 mm-40 -80.92 -58.28 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 5.7 t80 -41.06 -31.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 t -79.06 -43.13 24.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -29.42 64.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -83.27 -31.64 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.875 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' ARG . 2.0 m -65.26 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 55.2 p -43.24 -44.27 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.564 ' O ' HG23 ' A' ' 58' ' ' THR . 5.6 mm-40 -67.86 -29.35 68.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' CYS . 26.4 mtp85 -82.54 -19.64 38.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -76.18 -55.63 5.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -31.41 68.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 54' ' ' GLU . 69.1 p -76.48 -31.57 57.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mtp -55.64 164.14 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -105.67 149.3 26.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -38.81 -39.98 0.97 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -61.63 -49.26 77.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -59.74 -36.99 77.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -74.4 -32.72 62.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -39.82 -57.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 14.6 ptmt -46.17 -41.5 12.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.43 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 78.7 m-85 -83.3 -17.95 40.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -67.97 -53.63 24.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.91 -43.74 91.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.495 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 75.2 mtm -57.64 -45.35 85.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.471 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . . . -61.85 -41.53 97.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.534 ' O ' HG23 ' A' ' 76' ' ' VAL . 9.3 mtpm? -49.5 -44.76 46.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.33 -43.77 89.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.42 -21.2 66.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.97 -28.48 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.9 t -84.65 -41.78 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -30.29 66.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.541 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 70.1 t80 -76.88 -52.72 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -47.82 -40.61 21.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -75.1 -51.04 14.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -48.17 -38.4 18.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.9 mmt -66.96 -36.22 81.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -62.62 -40.57 97.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -81.29 -40.54 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -65.5 -55.67 16.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.443 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p -84.71 42.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.821 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m 45.28 42.14 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.26 175.77 19.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.492 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -157.12 156.75 33.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.885 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -146.88 156.93 43.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.59 -39.87 2.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 ptm -80.08 158.46 26.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.13 120.59 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -88.46 169.47 11.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.88 -94.46 0.11 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -92.32 146.22 32.15 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.719 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -40.6 5.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.308 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -65.55 -37.37 86.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.567 ' CG ' ' CZ ' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -46.79 137.7 7.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.874 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.576 ' HB2' ' CD1' ' A' ' 78' ' ' TYR . 53.8 Cg_endo -69.78 147.29 62.4 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.349 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' GLY . 2.0 pttm -92.2 132.81 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -35.72 141.74 0.15 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -65.81 136.88 56.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.42 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 12.4 mtm -112.55 161.07 17.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ALA . 35.2 m -99.67 150.96 21.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' SER . . . -34.2 -41.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' HB2' ' NE1' ' A' ' 56' ' ' TRP . 4.4 t80 -58.32 -63.05 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -39.7 -58.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -41.15 -53.17 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -50.81 -48.66 59.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.11 -54.13 39.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -54.88 20.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.0 m -48.12 -49.04 33.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.0 m -55.01 -48.2 73.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.544 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 9.3 mtp-105 -54.61 -49.23 70.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -59.84 -42.36 93.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -58.25 -23.95 57.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -85.48 -57.12 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' CD ' ' HA ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -54.85 -45.61 74.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -44.41 -38.03 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 23.9 mtpt -93.05 -58.3 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.436 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 3.6 m-80 -108.68 69.62 0.37 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.583 0.706 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.492 ' HA ' ' CD ' ' A' ' 35' ' ' LYS . 53.6 Cg_endo -69.74 -9.16 25.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -113.48 29.44 7.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 42' ' ' PRO . 99.5 t -128.89 138.85 34.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.729 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.69 143.36 50.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.642 ' O ' HG13 ' A' ' 43' ' ' VAL . 7.4 p -131.58 91.58 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' PHE . 2.7 m-20 -54.5 84.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 43' ' ' VAL . 30.5 t80 -35.94 -48.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.47 -52.72 12.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -75.55 -48.67 21.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CD2' ' HE3' ' A' ' 51' ' ' LYS . 4.4 t80 -52.19 -29.11 20.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t -76.79 -45.49 28.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.34 -31.88 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.584 ' HE3' ' CD2' ' A' ' 48' ' ' PHE . 12.2 pttt -83.4 -32.46 26.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 69.5 m -79.5 -62.99 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.7 p -41.43 -53.75 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.634 ' O ' HG23 ' A' ' 58' ' ' THR . 7.1 mm-40 -59.36 -35.04 73.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -71.88 -15.26 62.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.441 ' NE1' ' HB2' ' A' ' 23' ' ' TYR . 70.3 t-105 -78.41 -37.46 43.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -33.06 54.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 54' ' ' GLU . 33.9 p -72.1 -33.41 67.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.2 mtp -54.33 168.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 61' ' ' GLY . 3.1 m -116.81 148.3 41.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 60' ' ' SER . . . -36.28 -37.91 0.22 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.497 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -60.24 -60.48 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.299 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -60.27 -34.93 74.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 65' ' ' SER . 63.6 mttt -66.09 -44.04 85.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.4 t -35.36 -46.3 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -39.99 -49.13 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -92.42 -30.07 15.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.414 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 6.2 t0 -53.51 -38.43 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -75.82 -43.14 47.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 61.6 mtm -58.3 -47.04 84.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.81 -51.95 67.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -45.78 -38.39 7.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.22 -48.01 31.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.425 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 29.9 t0 -38.73 -42.59 0.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -58.41 -52.89 63.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.5 t -57.53 -52.4 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.2 tmm_? -55.36 -49.48 72.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.576 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 43.7 t80 -64.08 -36.94 85.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.34 -38.69 91.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -76.8 -21.48 55.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -85.76 -10.23 55.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.5 mmt -92.77 -26.14 17.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -64.03 -21.18 66.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -102.45 -35.87 8.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.567 ' CZ ' ' CG ' ' A' ' 15' ' ' LYS . 5.0 t80 -73.13 -39.89 65.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t -62.4 133.17 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.0 p -87.38 95.09 9.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.43 -165.79 12.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -67.84 172.49 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -96.52 -52.12 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.98 46.12 0.31 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 mtt -131.47 130.8 42.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.08 132.73 33.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.44 -47.6 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.77 -171.82 13.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.16 145.31 66.54 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.826 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -1.07 7.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.353 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -82.58 -25.56 33.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.553 ' HG2' ' CE2' ' A' ' 85' ' ' TYR . 15.5 mtpp -74.92 158.07 84.9 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.619 0.724 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 140.97 44.0 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 2.268 . . . . 0.0 112.368 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.61 144.74 29.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.86 140.47 9.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 78' ' ' TYR . 17.3 mttm -63.41 136.53 57.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.424 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 13.6 mtm -106.68 160.09 15.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.5 m -111.48 163.72 13.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.821 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . . . -37.75 -54.09 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CE1' ' SG ' ' A' ' 52' ' ' CYS . 92.8 t80 -51.12 -46.25 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -57.59 -58.44 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -47.89 -42.6 27.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' HD1' ' CE2' ' A' ' 67' ' ' PHE . 58.2 t80 -60.87 -26.92 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.546 HG12 ' HE ' ' A' ' 31' ' ' ARG . 75.2 t -83.52 -55.01 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -54.67 -55.47 29.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.2 m -46.73 -57.43 4.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 m -56.13 -42.17 76.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.546 ' HE ' HG12 ' A' ' 27' ' ' VAL . 46.2 mtm180 -57.79 -51.97 67.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -53.15 -40.16 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.05 -35.27 79.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -61.91 -40.94 97.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -73.99 -44.03 56.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -36.03 32.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 46.8 mttm -95.2 -56.21 2.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -110.23 68.05 0.5 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.74 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.45 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.74 -17.96 37.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.385 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HG3' HG23 ' A' ' 41' ' ' VAL . 7.4 pt-20 -80.55 -38.72 29.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.485 HG23 ' HG3' ' A' ' 40' ' ' GLU . 60.8 t -82.96 127.81 68.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.74 59.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.39 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 43' ' ' VAL . 2.6 p -111.05 104.59 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 47' ' ' GLU . 2.1 m-20 -70.75 88.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' ASN . 14.1 t80 -35.82 -45.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.53 -46.67 63.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' ASN . 15.4 mm-40 -80.72 -52.66 7.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.501 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 4.4 t80 -48.66 -37.33 18.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -75.9 -45.92 32.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -31.48 63.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -24.62 41.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.584 ' SG ' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -67.71 -62.03 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' CYS . 2.7 t -37.77 -54.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.822 ' O ' HG23 ' A' ' 58' ' ' THR . 4.5 mm-40 -64.71 -31.75 73.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 52' ' ' CYS . 56.1 mtt180 -76.1 -19.14 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.524 ' CD1' ' HE2' ' A' ' 64' ' ' LYS . 64.0 t-105 -84.97 -55.62 3.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -56.97 -28.59 62.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 54' ' ' GLU . 75.1 p -75.6 -21.04 58.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.3 mmm -48.02 176.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.9 m -118.73 26.2 9.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.81 -57.53 2.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -58.79 -24.39 61.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -81.07 -31.31 34.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.524 ' HE2' ' CD1' ' A' ' 56' ' ' TRP . 83.2 mttt -67.48 -46.65 72.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' LYS . 14.9 m -37.73 -47.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' SER . 7.1 ttpp -37.25 -49.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.4 ' CE2' ' HD1' ' A' ' 26' ' ' PHE . 20.0 m-85 -91.2 -40.19 11.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.821 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 1.7 t70 -46.38 -38.11 8.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -77.18 -47.73 19.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.4 mtm -50.32 -40.64 49.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.3 -53.11 54.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -42.22 -38.79 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.44 -48.81 16.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.1 OUTLIER -38.45 -42.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 16.2 ttmm -56.63 -52.14 66.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 83.7 t -56.83 -41.84 76.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -46.51 73.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 19' ' ' LYS . 1.1 t80 -57.32 -53.69 55.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -45.28 -45.02 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -64.88 -51.49 61.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -50.46 -40.18 50.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.3 mmt -61.75 -37.83 85.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -69.7 -30.19 67.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.23 -47.92 13.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CE2' ' HG2' ' A' ' 15' ' ' LYS . 5.9 t80 -68.11 -50.34 55.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.447 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 p -89.73 -54.46 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.885 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 m -49.08 164.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.98 146.9 14.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 t -80.52 148.81 30.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.369 . . . . 0.0 110.86 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -57.89 -51.34 70.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.83 -173.12 33.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.94 134.38 35.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 0.0 110.828 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.02 163.28 24.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.4 137.3 52.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -42.63 105.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.423 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 9.0 t0 -59.41 140.62 88.3 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 12' ' ' ASP . 53.9 Cg_endo -69.8 -90.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -109.14 -8.27 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -77.77 150.86 79.2 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.577 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 53.2 Cg_endo -69.74 122.84 9.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.642 2.228 . . . . 0.0 112.317 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -99.05 -1.84 38.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.552 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . 128.73 -171.87 19.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.562 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 29.6 mtmt -121.04 141.92 50.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.1 mtm -131.77 157.97 42.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.1 m -101.15 155.56 17.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.44 -40.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -62.04 -58.93 6.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.21 -45.3 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -52.72 -44.07 66.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -61.8 -49.63 75.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -61.97 -41.13 89.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -65.05 -45.79 83.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.4 m -52.92 -57.74 9.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.7 t -52.78 -42.53 65.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 22.3 mtm180 -57.8 -52.27 66.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.3 -35.55 62.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.88 -30.21 65.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -70.23 -38.59 75.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -74.39 -28.84 61.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -64.7 -30.31 71.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 39' ' ' PRO . 3.7 mmmp? -100.87 -51.37 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -111.59 68.59 0.76 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 53.8 Cg_endo -69.79 -25.37 28.54 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -105.23 32.49 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.641 HG13 ' HD2' ' A' ' 42' ' ' PRO . 86.7 t -134.61 138.4 29.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.592 0.71 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.641 ' HD2' HG13 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.8 155.11 66.64 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 43' ' ' VAL . 4.8 p -132.64 97.26 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' PHE . 37.3 m-20 -58.51 85.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' VAL . 9.4 t80 -37.84 -52.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -41.91 -46.03 3.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 50' ' ' LYS . 11.6 mt-10 -83.44 -57.99 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 5.2 t80 -40.33 -31.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.36 -45.14 56.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 47' ' ' GLU . 6.6 tppt? -51.07 -35.53 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HE2' ' CD2' ' A' ' 48' ' ' PHE . 1.8 pttm -78.71 -26.3 44.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.9 m -88.01 -66.11 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.9 p -42.29 -56.02 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 58' ' ' THR . 14.4 mt-10 -53.87 -33.39 56.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.0 mtt85 -75.79 -29.61 58.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.439 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 74.7 t-105 -65.67 -29.99 70.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -86.6 -33.37 20.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 54' ' ' GLU . 72.9 p -75.06 -15.36 60.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.5 mtp -74.69 165.54 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.8 m -112.54 154.88 25.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.04 -35.36 1.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -64.35 -43.54 94.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.717 0.294 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -73.32 -35.62 66.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 63.1 mttt -70.52 -41.17 72.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.7 m -35.05 -48.1 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -39.33 -49.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -90.78 -30.58 16.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -49.26 -36.77 21.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.4 -45.61 37.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 69.2 mtm -58.27 -40.69 82.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.89 -43.16 89.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -58.7 -26.35 63.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.0 -23.34 18.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -24.17 66.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -81.01 -43.24 19.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.37 -34.55 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.499 ' NE ' ' OE2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -65.88 -55.32 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 16' ' ' PRO . 53.9 t80 -58.75 -40.9 85.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.68 -51.27 70.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -66.49 -24.52 66.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.499 ' OE2' ' NE ' ' A' ' 77' ' ' ARG . 56.3 mt-10 -82.12 -21.42 36.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.3 mmt -85.59 -28.2 24.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -24.93 62.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -96.27 -26.04 15.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -83.12 -40.72 19.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.959 . . . . . . . . 0 0 . 1 stop_ save_