data_2yrq_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 2yrq _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 42.0 mtp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.763 0.315 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.6 p -95.33 -174.8 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 p -51.1 -55.66 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.432 ' CE2' HG22 ' A' ' 27' ' ' VAL . 43.8 t80 -59.19 -63.42 1.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.956 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -38.0 -33.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 5.3 m-85 -87.46 -39.36 15.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -61.72 -46.81 88.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.432 HG22 ' CE2' ' A' ' 23' ' ' TYR . 58.3 t -53.86 -32.62 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -92.34 -14.16 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.5 m -79.61 -24.95 41.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.1 m -88.63 -39.12 14.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -65.31 -41.49 93.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.83 -42.53 90.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.6 -31.51 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LYS . 16.7 t60 -63.5 -55.5 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -39.4 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' HIS . 13.2 mmtp -81.95 -41.37 20.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' HIS . 23.9 mtmt -71.63 -44.73 63.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 42.5 m-70 -134.62 94.81 16.55 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.58 0.705 . . . . 0.0 110.816 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -50.77 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.303 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -90.62 31.72 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.38 138.24 33.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.2 m -89.07 52.27 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 p -73.75 138.24 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -97.06 149.78 21.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -69.5 -43.2 73.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -65.35 -52.49 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -56.53 -34.47 67.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -77.32 -19.34 56.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.9 t -76.59 -67.75 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.797 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -47.47 -30.35 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -68.47 -53.04 26.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.7 m -49.7 -33.57 16.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -60.83 -71.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.432 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 11.9 pt-20 -63.99 -21.45 66.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.1 ttm-85 -78.79 -27.32 44.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.496 ' CE2' ' HE2' ' A' ' 64' ' ' LYS . 18.2 t-105 -79.04 -39.44 33.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.432 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 12.3 ptmm? -68.39 -48.3 65.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.7 t -55.25 -40.99 71.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.5 mtm -44.95 125.23 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.3 m -61.67 155.72 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.61 -46.94 10.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -52.84 -44.84 67.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.26 -41.98 97.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.496 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 68.0 mttt -68.44 -36.01 78.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -38.81 -70.5 0.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -46.21 -48.23 17.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -58.89 -27.77 65.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.66 -45.22 17.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -64.99 -35.11 80.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.9 ptp -75.31 -31.45 60.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.17 -46.22 61.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 20.9 pttt -60.29 -35.99 76.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -57.1 -30.84 64.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.07 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.525 ' HB3' ' CD2' ' A' ' 110' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.762 0.234 . . . . 0.0 112.35 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.9 m -119.98 173.3 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.99 -50.0 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.546 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 10.0 t80 -57.4 -43.66 83.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.525 ' CD2' ' HB3' ' A' ' 106' ' ' PRO . 45.1 t80 -66.92 -38.31 85.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.9 mt -67.71 -35.66 79.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.671 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 1.5 t80 -75.28 -55.72 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.7 p -60.54 -30.35 69.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 25.7 t -74.95 -38.8 61.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -78.97 -16.72 56.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -98.07 -25.17 15.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.619 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 16.7 ttp180 -52.28 -52.03 66.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.3 Cg_endo -69.76 -7.13 20.27 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -94.88 -51.5 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 25.3 pt -76.87 -35.45 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -54.8 -43.87 73.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -70.02 -39.06 74.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.494 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.84 -35.13 74.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -119.42 92.72 46.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.27 6.74 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -47.27 -45.63 21.46 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 38.0 mt -56.94 178.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 129' ' ' ILE . 59.2 m -144.87 155.87 43.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' SER . 40.9 mt -34.16 -44.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.28 -64.58 3.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 132' ' ' VAL . 4.6 m-20 -54.82 -58.85 5.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 131' ' ' ASP . 91.3 t -34.61 -52.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -64.59 -48.7 73.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -56.26 -21.98 27.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -79.53 -30.44 41.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.6 mt -76.93 -19.33 57.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -54.67 -35.76 58.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -89.7 -37.06 14.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 92.0 mtp -51.08 -44.6 61.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.671 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 16.4 t-105 -64.26 -49.19 72.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -49.97 -42.04 47.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -72.63 -40.24 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 144' ' ' ALA . 94.9 m -42.61 138.35 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.423 ' N ' HG21 ' A' ' 143' ' ' THR . . . -76.95 146.44 37.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -49.54 -47.18 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.67 -45.88 58.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.54 -21.42 60.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 140' ' ' TRP . 77.2 mttt -91.52 7.61 40.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.507 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 1.6 tt0 -54.0 -58.89 11.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.75 -44.51 2.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.719 2.28 . . . . 0.0 112.364 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -57.97 -26.9 62.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -90.88 -62.25 1.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -40.82 -53.06 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -54.82 -56.67 16.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -44.98 -49.32 11.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -41.35 -53.04 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -50.69 -51.08 52.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 82.2 mt -53.54 -50.08 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -38.99 -47.81 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -41.25 -55.74 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -47.2 -43.93 21.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.578 ' HE2' ' CD1' ' A' ' 25' ' ' PHE . 19.1 mtm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.778 0.323 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.0 m -81.72 172.6 13.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.4 m -48.65 -58.57 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -60.67 -56.98 14.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.18 -40.96 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CD1' ' HE2' ' A' ' 20' ' ' MET . 4.9 m-85 -77.08 -57.05 4.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.3 OUTLIER -46.5 -31.17 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.5 t -66.08 -35.76 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -92.34 -24.79 18.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.1 m -65.93 -48.04 72.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.3 m -67.84 -52.42 37.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -51.98 -41.03 61.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.37 -55.79 10.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.42 -29.82 17.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 37' ' ' LYS . 70.2 t60 -64.22 -66.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 34' ' ' HIS . 1.7 mptp? -34.73 -34.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' HIS . 3.8 mmmm -75.94 -47.78 23.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 34' ' ' HIS . 21.9 mtmm -63.7 -42.96 97.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -134.57 94.49 17.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.713 . . . . 0.0 110.839 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.285 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.78 -40.42 79.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.57 117.44 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 m -102.93 83.49 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.7 p -73.69 136.1 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -74.66 157.78 34.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -74.52 -45.47 45.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.1 t -61.55 -46.62 89.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -60.37 -39.7 88.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 31' ' ' ARG . 8.6 t80 -67.39 -36.08 80.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.1 t -65.01 -64.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -46.77 -30.89 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -76.57 -53.53 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.0 m -44.27 -30.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.0 t -60.13 -71.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -70.44 -13.96 62.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -86.34 -22.62 26.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 12.8 t-105 -82.46 -46.79 13.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -64.42 -42.89 95.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.2 t -57.16 -46.43 82.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.1 mtm -39.04 135.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 t -66.92 162.87 20.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.75 -44.68 58.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -54.68 -52.05 63.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.08 -48.02 71.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.506 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 84.9 mttt -64.96 -38.35 90.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -36.93 -74.6 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -42.73 -44.96 4.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.433 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 29.7 m-85 -61.14 -36.89 80.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.45 -49.52 63.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -63.79 -62.52 1.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.444 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 18.8 ptp -48.33 -42.51 31.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.444 ' N ' ' HG3' ' A' ' 70' ' ' MET . . . -57.35 -45.07 84.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -67.97 -60.88 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.13 -37.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.775 0.239 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' ALA . 19.4 m -116.2 170.3 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -36.99 -56.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.519 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 18.7 t80 -50.22 -66.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -45.29 -44.45 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.6 mt -55.65 -53.36 57.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.556 ' HB2' ' CE2' ' A' ' 151' ' ' TYR . 1.3 t80 -61.92 -59.91 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.484 ' N ' ' CD2' ' A' ' 112' ' ' PHE . 1.2 p -51.43 -36.42 43.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.0 t -71.59 -25.93 62.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.445 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.1 OUTLIER -86.24 -20.17 28.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.86 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -99.98 -23.12 15.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.628 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 8.3 ttp180 -49.81 -51.91 56.32 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 110.812 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.4 Cg_endo -69.76 -12.94 33.91 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.68 2.253 . . . . 0.0 112.294 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -90.63 -39.75 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 121' ' ' LYS . 13.9 pt -87.41 -47.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.452 ' N ' HG13 ' A' ' 120' ' ' ILE . 0.2 OUTLIER -48.05 -46.5 33.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -63.62 -38.45 96.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -68.64 -39.87 80.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.423 ' CG ' HD12 ' A' ' 127' ' ' LEU . 72.5 m-70 -110.4 92.92 14.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -2.29 9.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -96.25 -37.51 4.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.423 HD12 ' CG ' ' A' ' 124' ' ' HIS . 20.3 mt -60.23 126.75 28.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 129' ' ' ILE . 5.2 t -103.8 167.28 9.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 128' ' ' SER . 62.2 mt -34.32 -45.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.93 -65.86 2.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.13 -57.41 11.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.417 ' CG2' ' HB3' ' A' ' 127' ' ' LEU . 75.6 t -39.29 -41.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.61 -52.85 63.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.71 -30.94 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -67.25 -30.28 70.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.0 mt -83.69 -41.64 17.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -48.49 -47.66 28.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -71.53 -47.51 54.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 7.9 mtm -48.01 -45.32 31.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.519 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 2.0 t-105 -65.57 -39.97 92.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -66.72 -25.33 66.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -107.93 36.45 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 12.8 m -119.22 129.48 54.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.28 142.2 58.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.95 -27.6 19.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.36 -48.03 81.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -10.76 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 149' ' ' GLN . 58.1 mttt -100.2 -23.8 14.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.503 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.7 tt0 -32.15 -58.81 0.4 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.71 -44.91 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 10.5 m-85 -53.15 -35.7 60.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -87.0 -63.96 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.493 ' CD ' ' HG3' ' A' ' 149' ' ' GLN . 4.8 mtpm? -43.96 -40.22 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -70.72 -49.56 45.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.33 -40.05 47.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -51.29 -44.23 61.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -58.64 -51.22 70.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.5 mt -47.84 -44.39 29.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.98 -38.91 39.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -50.13 -41.82 49.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -64.08 -21.63 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 40.3 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.956 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.683 ' CE ' ' CE1' ' A' ' 25' ' ' PHE . 6.2 mtm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -84.93 165.62 17.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.9 p -47.88 -40.0 20.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -69.24 -54.81 12.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.49 -35.75 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.07 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.683 ' CE1' ' CE ' ' A' ' 20' ' ' MET . 5.8 m-85 -85.04 -43.71 13.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -56.38 -25.24 48.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.2 t -82.3 -34.28 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -70.31 -33.52 71.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.69 -33.28 53.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 m -77.19 -34.7 56.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.478 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 7.5 ptp180 -68.61 -36.03 78.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 4.2 pt-20 -75.44 -49.53 18.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 40.0 mm-40 -44.9 -36.33 3.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -67.59 -60.51 2.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -42.91 -24.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -78.41 -46.97 18.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -65.94 -44.86 83.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -129.45 94.32 33.08 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.832 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -44.13 2.3 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.79 -36.84 83.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.93 125.75 27.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.0 t -111.12 103.54 11.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.7 p -83.21 142.47 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -78.16 168.98 19.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -81.17 -54.79 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.7 m -57.3 -44.47 84.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -64.63 -35.7 81.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 31' ' ' ARG . 18.1 t80 -80.78 -26.51 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.5 t -71.62 -45.5 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -60.49 -27.0 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -77.52 -58.7 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.6 m -50.36 -27.12 5.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.2 m -65.64 -72.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -63.67 -15.72 59.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -87.76 -23.12 24.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.494 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 18.0 t-105 -82.74 -39.82 21.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -71.85 -33.73 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 t -75.76 -7.38 54.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.448 ' HE2' ' CE3' ' A' ' 56' ' ' TRP . 8.0 mtp -79.18 126.64 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.8 m -63.19 156.49 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.19 -27.05 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -66.78 -52.53 43.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -57.84 -31.38 66.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.462 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 59.9 mttt -84.87 -31.47 23.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -41.98 -58.17 3.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.509 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -52.71 -51.8 58.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.325 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 41.0 m-85 -55.09 -41.72 71.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.38 -42.96 78.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -65.46 -49.91 67.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.8 mtm -59.63 -60.07 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -42.72 -46.17 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -58.24 -49.35 77.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.48 -37.98 18.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.788 0.245 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.1 p -125.98 168.08 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.41 -45.02 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.595 ' CZ ' ' SG ' ' A' ' 113' ' ' CYS . 11.6 t80 -59.58 -62.83 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -44.84 -40.12 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.03 -66.14 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.587 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -49.82 -50.09 46.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.595 ' SG ' ' CZ ' ' A' ' 109' ' ' PHE . 58.5 m -56.03 -52.61 63.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.2 t -67.1 -8.01 27.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -102.07 -26.29 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -98.69 -18.83 17.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.633 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 10.3 ttp180 -53.98 -52.11 71.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.607 0.718 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.74 -14.74 36.57 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.733 2.289 . . . . 0.0 112.358 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -87.63 -38.47 15.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.6 pt -85.91 -37.44 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.419 ' CD ' ' HA ' ' A' ' 118' ' ' PRO . 15.9 ptmt -44.5 -32.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -85.09 -27.86 32.67 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -73.97 -50.62 19.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -111.9 89.24 11.13 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.539 0.685 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -39.34 6.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.325 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -49.32 -40.75 30.75 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.08 -175.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 129' ' ' ILE . 1.4 t -160.05 160.69 33.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 128' ' ' SER . 75.4 mt -35.61 -36.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.61 -53.4 20.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.478 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' VAL . 10.3 m-20 -71.15 -56.82 5.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' ASP . 18.8 t -37.32 -54.82 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -45.81 -48.22 15.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -60.95 -27.58 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -72.91 -30.58 64.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.3 mt -77.89 -19.74 54.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.28 -62.4 4.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.4 pm0 -64.99 -39.08 92.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 31.0 mmm -48.82 -30.7 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.587 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 4.9 t-105 -79.74 -41.23 27.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -62.98 -33.63 75.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -80.5 -39.53 27.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 22.9 m -45.13 140.79 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.12 151.11 31.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.83 -38.27 75.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.07 -33.58 70.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.54 -17.38 60.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -95.62 11.22 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.496 ' HG3' ' CD ' ' A' ' 153' ' ' LYS . 5.6 tt0 -55.6 -59.49 11.17 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.2 Cg_endo -69.72 -36.66 10.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.736 2.291 . . . . 0.0 112.375 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.485 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 58.3 m-85 -64.04 -42.82 96.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -79.03 -45.47 20.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.496 ' CD ' ' HG3' ' A' ' 149' ' ' GLN . 5.4 mtpm? -61.05 -51.3 69.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -57.62 -53.44 58.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -47.38 -35.7 8.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.12 68.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -66.77 -52.63 41.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.1 mt -45.42 -50.26 12.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -41.47 -37.41 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -64.43 -50.4 67.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -54.2 -21.31 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 56.4 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.428 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 26.1 mtp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.769 0.319 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.1 m -87.87 174.44 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.7 m -43.89 -58.8 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.611 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 35.3 t80 -57.86 -63.1 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' TYR . . . -33.82 -38.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.066 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.428 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 5.5 m-85 -83.0 -54.22 5.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.537 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -47.04 -43.71 20.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.611 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 53.4 t -58.41 -28.2 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.46 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 6.1 tt0 -92.33 -28.48 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.3 m -68.69 -38.9 80.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.466 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 77.1 m -76.49 -51.74 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 28' ' ' GLN . 4.7 ptp180 -47.77 -41.04 22.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.39 -38.09 89.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -56.43 -39.4 73.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -68.35 -57.93 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -44.29 -29.04 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -78.67 -45.81 20.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -64.97 -43.73 91.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -134.55 94.4 17.24 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.547 0.689 . . . . 0.0 110.89 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -35.73 12.08 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.74 2.293 . . . . 0.0 112.344 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -71.04 -37.19 72.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.34 119.08 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -90.59 99.36 12.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.406 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 11.8 p -101.45 135.95 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -83.72 169.46 15.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -90.96 -45.43 8.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -67.65 -23.1 65.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.567 ' CD ' ' N ' ' A' ' 48' ' ' PHE . 1.7 pp20? -83.37 -45.45 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.567 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 23.0 t80 -63.3 -20.32 65.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.0 t -65.76 -47.74 74.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -57.55 -20.73 33.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -86.56 -50.01 7.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.2 m -55.63 -35.17 65.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -71.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.472 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 14.4 pt-20 -59.05 -19.62 45.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -81.46 -23.95 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.496 ' CE2' ' HE2' ' A' ' 64' ' ' LYS . 70.4 t-105 -86.55 -30.85 21.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.472 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 6.2 ptmm? -76.6 -29.76 56.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.0 t -76.24 -35.32 59.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.6 mtm -61.9 146.34 50.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -103.81 179.08 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.55 -25.84 11.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.168 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -60.99 -42.17 97.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -87.85 -53.11 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.496 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 68.9 mttt -52.13 -36.51 51.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.96 -73.62 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -46.92 -37.62 9.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.328 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 25.3 m-85 -68.01 -30.44 69.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -72.32 -50.5 26.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -62.35 -51.7 66.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 ptp -54.87 -37.02 65.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.82 -34.53 78.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -73.88 -30.43 62.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.52 91.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.805 0.252 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.1 p -94.9 159.21 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.69 -32.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.462 ' HB2' ' NE1' ' A' ' 140' ' ' TRP . 16.1 t80 -67.21 -49.17 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -59.47 -22.12 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 88.8 mt -82.15 -48.57 11.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.606 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -68.82 -48.65 63.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.421 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.7 p -61.78 -29.34 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.8 t -82.61 -12.99 57.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -97.11 -35.92 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.437 ' C ' ' HD2' ' A' ' 118' ' ' PRO . 3.0 m-85 -83.73 -25.44 30.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.635 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 3.2 ttm180 -40.0 -52.11 5.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.589 0.709 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.9 Cg_endo -69.74 -36.12 11.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.418 ' HD3' ' CD2' ' A' ' 116' ' ' TYR . 8.1 ptmt -72.05 -23.64 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 121' ' ' LYS . 36.4 pt -95.89 -37.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.448 ' N ' HG13 ' A' ' 120' ' ' ILE . 1.1 tmmt? -53.02 -43.92 66.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -71.91 -47.67 30.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.447 ' OE1' ' CA ' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -55.04 -42.74 73.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 86.2 m-70 -116.34 93.14 38.75 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.578 0.704 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.3 Cg_endo -69.79 -21.54 33.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.316 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.42 -43.02 21.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.421 HD23 ' CB ' ' A' ' 131' ' ' ASP . 92.1 mt -51.34 126.05 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 129' ' ' ILE . 98.1 p -98.22 163.3 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' SER . 30.6 mt -35.16 -36.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -74.4 -57.69 4.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 0.6 OUTLIER -63.07 -53.68 49.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 131' ' ' ASP . 92.9 t -34.22 -52.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.4 -47.17 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 131' ' ' ASP . 11.7 tptm -53.71 -24.04 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.27 -39.98 64.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.41 -24.56 46.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.79 -53.27 42.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.44 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.65 -47.8 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 90.7 mtp -49.4 -50.73 39.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.606 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 24.3 t-105 -59.02 -29.8 67.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -82.78 -25.52 32.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -106.62 29.15 7.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.407 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 3.8 m -114.99 133.28 56.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.4 155.23 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.99 -26.85 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.45 -40.19 90.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.407 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 5.1 t70 -69.87 -18.09 63.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -93.61 5.93 49.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.493 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.9 tt0 -51.83 -59.33 8.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.585 0.707 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.9 Cg_endo -69.74 -36.8 10.19 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 30.5 m-85 -66.17 -32.98 74.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.65 -53.82 4.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -47.43 -53.05 15.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -55.21 -53.52 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -45.67 -55.36 6.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -41.21 -56.56 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -47.94 -58.65 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 19.7 mt -46.43 -50.3 16.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -41.6 -54.43 3.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -49.29 -59.28 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -46.04 -44.91 15.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.53 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 29.8 mtp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.5 m -100.27 -174.76 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 p -59.05 -44.16 91.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -68.39 -62.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.04 -39.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.059 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 5.1 m-85 -81.69 -52.46 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.573 ' CE1' ' SD ' ' A' ' 59' ' ' MET . 0.5 OUTLIER -47.67 -28.36 2.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.2 t -75.92 -32.95 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -92.32 -13.77 29.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.5 m -82.56 -38.2 24.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.4 m -76.45 -28.49 56.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -73.67 -40.65 63.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 4.3 pt-20 -66.97 -49.4 65.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 16.4 mm-40 -52.22 -35.34 49.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -68.5 -60.39 2.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.99 -23.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -80.95 -45.34 16.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.8 -45.54 82.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -134.61 94.84 16.54 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.553 0.692 . . . . 0.0 110.838 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -43.94 2.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -61.19 -32.06 71.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.66 122.27 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.5 p -104.07 94.42 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 44' ' ' ASN . 2.0 p -83.09 155.54 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.439 ' N ' ' CG2' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -96.69 154.83 17.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -80.7 -57.22 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -44.8 -41.65 7.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -75.3 -47.98 25.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -65.33 -14.2 60.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 t -86.95 -66.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HG3' ' CE ' ' A' ' 51' ' ' LYS . 9.7 ptmt -43.84 -36.9 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.464 ' CE ' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.38 -54.76 17.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.3 m -41.56 -29.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.8 t -67.35 -71.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -63.97 -15.07 58.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -89.58 -23.72 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.565 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 21.3 t-105 -83.46 -40.19 19.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -67.97 -38.33 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 t -68.47 -24.73 64.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.573 ' SD ' ' CE1' ' A' ' 26' ' ' PHE . 15.3 mtp -61.39 120.53 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.97 157.73 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.53 -41.84 31.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 10.5 ptpp? -54.47 -40.74 68.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 30.3 mm-40 -67.71 -37.88 82.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.523 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 82.9 mttt -78.62 -24.81 45.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.23 -59.68 8.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -51.85 -50.26 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 36.9 m-85 -54.32 -38.19 65.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.96 -32.24 72.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.88 -56.36 4.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 mtm -53.87 -50.05 67.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.08 -51.34 62.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -53.3 -31.73 45.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.45 -34.48 70.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.23 0.122 0 CA-C-O 120.784 0.243 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 108' ' ' ALA . 77.5 p -135.77 153.82 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -35.67 -43.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.461 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 2.0 t80 -66.94 -47.62 71.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.421 ' O ' ' CB ' ' A' ' 114' ' ' SER . 11.1 t80 -61.5 -43.11 99.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.66 -50.18 70.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.653 ' CG ' ' CE3' ' A' ' 140' ' ' TRP . 0.6 OUTLIER -62.16 -48.26 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.7 p -68.26 -32.58 72.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 42.2 t -75.62 -14.77 60.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -101.64 -26.02 13.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -91.83 -10.62 39.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.626 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 9.9 ttm180 -62.53 -51.79 70.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.634 0.73 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.83 -7.85 22.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.302 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -93.21 -36.69 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.2 pt -92.3 -40.39 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -51.84 -32.39 31.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -79.89 -38.46 19.57 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.15 -47.89 72.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -107.1 90.45 5.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -17.59 37.43 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -70.89 -47.36 39.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 36.7 mt -50.69 -178.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.7 t -152.92 172.97 15.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.0 mt -50.13 -36.53 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -69.12 -51.18 29.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 132' ' ' VAL . 9.6 m-20 -71.38 -60.43 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' ASP . 52.6 t -34.25 -49.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -50.78 -48.06 59.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 131' ' ' ASP . 0.6 OUTLIER -60.5 -32.77 71.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -69.27 -25.52 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.4 mt -79.36 -21.48 45.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.66 -62.8 5.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 13.3 pm0 -66.27 -34.76 78.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 64.9 mmm -55.18 -48.75 73.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.653 ' CE3' ' CG ' ' A' ' 112' ' ' PHE . 31.0 t-105 -66.62 -33.3 75.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -75.72 -27.74 58.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -86.61 -36.83 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 53.7 m -37.8 149.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.94 134.7 38.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.111 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -45.51 -36.65 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -61.58 -37.15 82.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.28 -15.06 62.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 149' ' ' GLN . 44.7 mttp -94.72 -22.35 18.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.509 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.5 tt0 -33.94 -58.58 0.58 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.61 0.719 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.0 Cg_endo -69.79 -44.75 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.506 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 15.3 m-85 -55.57 -23.39 26.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -93.84 -57.85 2.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -48.64 -43.52 36.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -66.5 -66.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -40.03 -44.64 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -48.87 -59.93 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -41.61 -53.53 3.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 29.7 mt -62.64 -39.11 92.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -60.04 -41.98 93.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -55.34 -49.78 71.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -54.15 -39.48 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 40.4 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.403 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 21.0 mtp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.796 0.331 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -105.32 161.85 13.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -40.7 -55.76 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.552 ' CE2' HG23 ' A' ' 27' ' ' VAL . 50.6 t80 -56.52 -60.32 3.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' TYR . . . -35.49 -40.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.495 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 9.1 m-85 -82.48 -57.52 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.537 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -42.84 -31.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.552 HG23 ' CE2' ' A' ' 23' ' ' TYR . 46.6 t -81.79 -31.34 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' PHE . 3.6 pt20 -79.62 -28.45 40.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -76.22 -58.22 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 54.8 m -54.64 -45.92 73.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.525 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 19.6 ptt180 -56.68 -42.87 79.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.474 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 22.8 mt-10 -65.11 -45.33 85.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -56.42 -36.62 69.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 37' ' ' LYS . 8.6 t60 -61.39 -67.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -39.29 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 34' ' ' HIS . 24.5 mmtt -82.16 -41.62 20.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 34' ' ' HIS . 23.2 mmtp -68.45 -43.32 77.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -130.0 95.02 29.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -42.53 3.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -62.01 -40.02 94.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.65 115.01 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 t -89.94 42.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.418 ' CG1' ' NE2' ' A' ' 34' ' ' HIS . 7.2 p -51.17 136.84 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.413 ' N ' HG22 ' A' ' 43' ' ' VAL . 6.6 m-80 -81.3 154.09 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' A' ' 46' ' ' SER . 28.8 p90 -79.88 -53.04 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.556 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 3.2 m -52.5 -53.0 51.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.06 -47.63 83.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 31' ' ' ARG . 89.6 t80 -39.96 -31.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' LYS . 23.2 t -61.29 -45.1 95.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -39.06 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' SER . 80.1 mttt -87.5 -54.83 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.8 m -47.22 -32.56 4.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.2 p -61.2 -70.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -67.15 -17.63 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -84.34 -26.66 28.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 35.0 t-105 -78.3 -38.57 42.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -68.98 -39.74 79.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 t -65.73 -40.7 92.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.6 mtm -49.04 124.8 9.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -62.88 164.5 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.29 -45.41 34.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.084 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -54.11 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -47.38 -37.68 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.524 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 69.2 mttt -72.96 -36.19 67.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -43.81 -56.87 4.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -55.03 -36.14 65.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 56.0 m-85 -80.32 -21.11 42.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -85.81 -32.68 21.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.51 -33.27 36.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.0 ptp -76.86 -32.22 57.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 25' ' ' PHE . . . -71.08 -41.15 71.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 2.7 ptmm? -63.63 -33.0 74.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.478 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -53.08 -20.61 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.2 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.857 0.274 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 t -120.48 168.01 11.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.91 -30.87 11.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.47 ' HB2' ' NE1' ' A' ' 140' ' ' TRP . 5.4 t80 -63.9 -53.76 45.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -54.29 -48.51 71.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.5 mt -54.86 -66.0 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.532 ' HA ' ' CE1' ' A' ' 151' ' ' TYR . 1.1 t80 -44.99 -55.01 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.451 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.8 p -60.76 -29.58 69.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.438 ' N ' ' HG ' ' A' ' 113' ' ' CYS . 22.9 t -82.0 -12.9 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -101.62 -22.25 14.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -95.82 -19.52 19.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.623 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 11.1 ttp180 -52.57 -51.89 68.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.4 Cg_endo -69.71 -3.68 12.46 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.368 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -102.15 -35.54 8.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.446 HD12 ' CG1' ' A' ' 132' ' ' VAL . 44.4 pt -92.54 -34.87 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.427 ' N ' HG13 ' A' ' 120' ' ' ILE . 1.1 tmmt? -62.63 -49.93 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -65.19 -37.92 94.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -70.99 -45.66 63.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -105.15 96.13 10.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -29.34 23.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.236 . . . . 0.0 112.346 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.25 -34.98 90.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 131' ' ' ASP . 13.7 mt -78.12 158.92 28.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 129' ' ' ILE . 39.6 m -149.64 171.77 16.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' SER . 88.2 mt -35.71 -37.49 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.92 -57.78 10.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 132' ' ' VAL . 34.4 m-20 -71.13 -59.64 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.804 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 131' ' ' ASP . 54.3 t -33.76 -50.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -42.24 -64.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -52.39 -30.48 29.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -67.56 -35.34 78.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 16.6 mt -81.28 -23.51 37.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.25 -44.35 95.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 139' ' ' MET . 7.1 pt-20 -74.75 -41.62 59.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.436 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 28.6 mtp -50.53 -61.24 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.47 ' NE1' ' HB2' ' A' ' 109' ' ' PHE . 6.4 t-105 -50.07 -34.88 23.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -76.91 -24.08 52.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -110.73 26.9 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.442 HG21 ' N ' ' A' ' 144' ' ' ALA . 24.3 m -106.41 135.61 47.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.139 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.442 ' N ' HG21 ' A' ' 143' ' ' THR . . . -68.73 135.49 51.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -46.44 -40.91 13.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -55.02 -36.13 65.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.59 -13.2 61.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -99.24 1.48 44.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.502 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.9 tt0 -50.95 -58.68 9.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.9 Cg_endo -69.76 -17.96 37.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.626 2.217 . . . . 0.0 112.349 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.532 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 38.2 m-85 -89.41 -22.0 22.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -93.43 -52.29 4.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -55.23 -47.61 75.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -57.12 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -41.69 -48.07 4.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -44.76 -40.47 6.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -65.19 -50.31 66.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 17.7 mt -47.51 -45.04 26.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.964 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -42.03 -39.59 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -51.2 -41.45 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -60.59 -45.85 92.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 32.6 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.566 ' HE1' ' CD1' ' A' ' 25' ' ' PHE . 10.0 mtm . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.774 0.321 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.7 p -101.26 178.86 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.8 p -48.88 -54.04 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -62.67 -62.08 1.98 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.23 -39.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CD1' ' HE1' ' A' ' 20' ' ' MET . 8.8 m-85 -78.99 -56.43 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.551 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -45.47 -29.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.36 -35.58 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -89.01 -23.26 22.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.7 m -74.26 -40.96 62.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.551 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 90.7 m -71.75 -53.68 12.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 10.0 ptm180 -44.24 -40.87 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 11.4 mt-10 -65.78 -49.52 68.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -50.99 -36.44 39.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 37' ' ' LYS . 2.3 t-160 -60.9 -67.59 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HE3' ' N ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -36.96 -29.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 34' ' ' HIS . 2.0 mmmm -78.99 -44.74 21.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 34' ' ' HIS . 18.3 mmtp -68.7 -45.09 72.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 41' ' ' ALA . 49.0 m-70 -133.32 93.54 21.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -49.42 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.272 . . . . 0.0 112.329 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -85.6 21.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.464 ' HB3' ' CB ' ' A' ' 38' ' ' HIS . . . -87.79 120.45 29.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.3 p -71.79 85.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -105.03 142.26 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -95.53 -176.92 3.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -103.44 -48.66 3.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -64.19 -36.61 84.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.566 ' CD ' ' N ' ' A' ' 48' ' ' PHE . 2.1 pp20? -65.62 -45.67 82.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 16.2 t80 -62.05 -33.77 75.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 51' ' ' LYS . 1.6 m -78.46 -61.61 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -42.91 -23.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.3 ttmt -92.72 -41.81 9.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -47.81 -25.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.7 p -68.58 -67.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -69.25 -15.79 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' C ' HG21 ' A' ' 58' ' ' THR . 20.7 ttt85 -87.23 -23.69 24.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.542 ' CZ2' ' HD3' ' A' ' 64' ' ' LYS . 16.0 t-105 -83.59 -41.73 17.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -68.16 -33.4 74.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.416 HG21 ' C ' ' A' ' 55' ' ' ARG . 9.8 t -68.86 -29.15 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.4 mtm -59.4 123.21 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.9 m -59.38 152.46 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.96 -38.36 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -58.15 -42.0 84.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -66.63 -47.05 73.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.542 ' HD3' ' CZ2' ' A' ' 56' ' ' TRP . 77.3 mttt -63.31 -26.94 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' GLU . . . -41.34 -72.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -43.74 -43.97 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.513 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 49.3 m-85 -65.85 -30.4 71.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' GLY . 7.7 mm-40 -74.41 -40.03 62.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.13 -56.89 4.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.414 ' CG ' ' N ' ' A' ' 71' ' ' ALA . 8.4 ptp -49.24 -43.8 43.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.414 ' N ' ' CG ' ' A' ' 70' ' ' MET . . . -61.46 -44.39 97.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -51.89 -36.62 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.45 -43.91 84.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 t70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.795 0.248 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 108' ' ' ALA . 15.2 m -111.4 164.85 12.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -33.73 -70.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.557 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 11.0 t80 -40.68 -42.79 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.34 -61.85 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.2 mt -42.31 -45.78 4.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.522 ' HA ' ' CE1' ' A' ' 151' ' ' TYR . 0.9 OUTLIER -65.79 -52.36 51.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.43 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.4 p -57.23 -30.47 64.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.3 t -74.68 -10.53 59.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.54 -41.05 7.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.535 ' CD2' ' HD3' ' A' ' 119' ' ' LYS . 4.2 m-85 -83.12 -44.33 15.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.531 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 8.3 ttp180 -28.24 -57.86 0.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.8 Cg_endo -69.75 -38.05 8.36 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.535 ' HD3' ' CD2' ' A' ' 116' ' ' TYR . 0.0 OUTLIER -61.89 -26.15 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.2 pt -96.13 -31.34 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.66 -50.91 67.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -61.91 -36.21 92.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -69.31 -39.97 77.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -121.63 94.15 48.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.536 0.684 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -34.44 14.65 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.17 -51.4 54.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.526 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 85.7 mt -50.27 152.99 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.9 m -125.29 166.78 15.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 36.6 mt -38.48 -35.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -69.02 -51.5 28.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 134' ' ' LYS . 0.6 OUTLIER -70.7 -61.96 1.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 131' ' ' ASP . 97.2 t -35.65 -37.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -66.76 -49.3 66.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 131' ' ' ASP . 19.2 ttmt -61.06 -29.02 69.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -67.67 -25.27 65.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.1 mt -86.82 -13.54 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.19 -47.54 79.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -70.13 -39.16 75.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 30.0 mtt -47.16 -64.96 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.564 ' CH2' ' HG2' ' A' ' 148' ' ' LYS . 4.2 t-105 -48.6 -35.19 13.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.08 -25.03 55.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -109.26 33.8 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 m -117.29 127.22 53.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.43 138.79 39.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -50.84 -34.52 28.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.15 -25.65 68.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.44 11.48 14.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.564 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 64.1 mttt -120.26 -22.97 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.635 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 11.8 tt0 -43.99 -51.4 18.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.71 -16.47 37.78 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.522 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 15.6 m-85 -90.39 -28.75 18.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -87.96 -58.49 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -44.63 -50.3 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -59.57 -52.57 64.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -43.66 -34.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.97 -54.95 34.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.451 ' O ' ' CD ' ' A' ' 161' ' ' LYS . 23.3 mmmt -50.13 -24.19 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 13.2 mt -87.89 -33.09 18.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -71.22 -43.61 66.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 161' ' ' LYS . 11.0 pt-20 -55.08 -48.74 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -56.5 -40.31 74.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 8.9 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 12.6 mtp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 t -90.27 166.37 13.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 m -40.81 -63.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.525 ' CD1' ' CG ' ' A' ' 56' ' ' TRP . 50.3 t80 -56.47 -58.61 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.91 -39.08 1.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 3.6 m-85 -77.97 -54.47 6.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.402 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -47.65 -19.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.4 t -79.14 -34.9 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -92.44 -18.46 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.3 m -76.62 -37.56 56.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 85.5 m -72.44 -48.96 36.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 5.9 ptm180 -49.47 -43.96 45.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 4.9 mm-40 -66.56 -59.07 3.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -50.31 -32.6 17.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LYS . 29.2 t60 -61.23 -63.68 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -38.85 -27.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' HIS . 4.9 mmpt? -80.74 -42.98 20.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' HIS . 18.7 mmtp -67.79 -45.29 75.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -133.61 94.62 18.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.527 0.68 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.242 . . . . 0.0 112.372 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -85.35 32.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.4 175.23 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.0 p -132.74 77.51 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -110.97 142.59 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 45' ' ' PHE . 10.0 m-20 -107.15 123.77 48.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 44' ' ' ASN . 68.9 m-85 -36.76 -54.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -55.38 -52.72 62.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' SER . 5.9 mm-40 -55.37 -54.25 45.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 10.4 t80 -35.85 -32.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' GLU . 40.2 t -58.05 -54.08 51.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -49.63 -31.57 11.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -56.22 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.522 ' HG ' ' N ' ' A' ' 53' ' ' SER . 9.8 p -58.0 -34.22 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.522 ' N ' ' HG ' ' A' ' 52' ' ' CYS . 2.6 m -67.46 -45.85 74.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 8.3 pt-20 -81.84 -19.2 41.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -84.9 -33.54 22.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.525 ' CG ' ' CD1' ' A' ' 23' ' ' TYR . 67.3 t-105 -71.19 -31.88 68.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.437 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 17.5 ptmt -75.57 -44.33 43.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 t -68.82 -42.72 76.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.179 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.2 mtm -47.9 112.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 p -64.59 175.1 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.56 -36.63 74.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -58.76 -29.04 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -85.48 -41.62 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.504 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 74.8 mttt -71.79 -18.61 62.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.26 -72.96 0.4 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -46.83 -43.78 18.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -61.73 -35.24 77.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.65 -45.91 70.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -67.57 -62.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.2 ptp -47.41 -38.82 14.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.36 -37.18 80.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -64.3 -52.85 56.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.98 -20.25 50.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.137 0 CA-C-O 120.798 0.249 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.3 p -107.08 161.85 14.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.52 -41.46 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.479 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 10.5 t80 -60.83 -43.07 98.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.829 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 114' ' ' SER . 49.2 t80 -66.39 -47.32 73.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 72.6 mt -58.6 -38.77 78.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 113' ' ' CYS . 1.1 t80 -71.17 -60.37 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.53 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.2 p -58.56 -30.79 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 18.0 m -67.54 -21.94 65.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -97.92 -20.04 17.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.416 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.1 m-85 -92.57 -31.96 15.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.557 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 2.1 ttt180 -48.62 -56.06 16.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.77 -14.18 35.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.603 2.202 . . . . 0.0 112.364 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -89.23 -33.25 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 121' ' ' LYS . 12.1 pt -93.26 -44.99 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.414 ' N ' HG13 ' A' ' 120' ' ' ILE . 29.5 ttpt -47.19 -37.33 10.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -75.67 -37.47 39.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.473 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -68.85 -40.52 79.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -114.44 92.61 28.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.567 0.699 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -12.99 33.93 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.08 -42.8 9.19 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 46.5 mt -54.56 123.93 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.5 p -90.55 169.46 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 43.9 mt -45.48 -37.59 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.51 -58.06 7.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.471 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 132' ' ' VAL . 10.8 m-20 -58.41 -58.02 10.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 131' ' ' ASP . 69.5 t -35.27 -47.85 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.74 -48.92 78.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 131' ' ' ASP . 46.1 mmtt -51.82 -36.75 49.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -64.83 -29.34 70.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.8 mt -86.77 -28.1 23.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.02 -43.53 97.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 139' ' ' MET . 12.9 pt-20 -75.56 -45.0 40.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.441 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 2.8 mmm -43.95 -67.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.506 ' CH2' ' HG2' ' A' ' 148' ' ' LYS . 3.2 t-105 -45.13 -36.38 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -74.68 -29.48 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 139' ' ' MET . 24.7 p30 -104.77 30.41 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.436 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 18.3 m -114.26 137.06 52.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.47 131.7 44.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -41.61 -39.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -51.85 -44.47 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.436 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 9.2 t70 -62.52 -21.05 65.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.506 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 72.3 mttt -94.74 12.33 28.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.514 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.1 tt0 -58.73 -58.73 17.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.7 Cg_endo -69.74 -32.41 18.71 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 18.1 m-85 -69.41 -46.12 67.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.56 -58.44 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -46.71 -54.05 10.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -55.28 -69.29 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -39.42 -45.01 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -47.76 -50.54 25.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -51.96 -49.7 62.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 60.3 mt -53.37 -53.3 53.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -38.01 -50.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -47.12 -55.29 8.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -47.81 -44.43 28.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 -179.915 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.5 mtp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.743 0.306 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' SER . 5.8 t -114.59 156.12 25.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' SER . 10.1 p -36.29 -44.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.85 -60.54 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.33 -33.53 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -82.98 -39.89 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -26.4 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.6 t -81.88 -31.33 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.63 -11.51 36.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.2 m -91.22 -52.21 4.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 m -63.02 -21.89 66.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.408 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 35.2 ptt85 -80.21 -43.28 21.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 6.3 pt-20 -70.14 -49.69 48.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.531 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 18.7 mt-10 -50.94 -35.11 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LYS . 38.3 t60 -63.36 -60.45 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -37.33 -29.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.8 OUTLIER -78.44 -43.94 25.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' HIS . 14.2 mmmt -69.21 -43.49 73.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -131.92 94.97 23.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 110.803 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -49.6 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.256 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -92.5 38.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.36 172.96 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.8 t -125.22 50.61 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.4 HG13 ' NE2' ' A' ' 34' ' ' HIS . 3.6 p -84.61 145.15 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -105.19 145.41 30.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -67.16 -64.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.4 t -44.32 -36.7 2.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -73.69 -38.6 64.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -68.36 -23.73 64.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.87 -49.89 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -21.71 66.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -87.38 -39.62 15.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.2 m -55.21 -28.23 51.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -64.64 -56.51 13.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.11 -25.8 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.0 mtt85 -79.4 -22.25 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.502 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 46.7 t-105 -82.11 -35.65 28.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -76.7 -33.48 58.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.6 t -72.55 -40.31 66.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.9 mtm -51.81 113.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 t -62.06 174.05 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.52 -46.38 73.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -48.08 -40.36 22.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -70.63 -52.76 19.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.502 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 86.5 mttt -63.97 -14.15 51.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -47.66 -61.66 4.56 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -55.83 -57.63 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -48.57 -35.9 14.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -67.65 -38.86 84.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -69.97 -29.93 67.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 mtm -82.18 -45.05 15.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.59 84.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -65.08 -36.48 84.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.455 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -74.98 -29.5 60.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.775 0.239 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.8 p -133.56 169.86 16.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.08 -45.6 22.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.581 ' CE1' ' SG ' ' A' ' 113' ' ' CYS . 19.2 t80 -50.21 -52.4 36.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.38 -47.11 76.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.9 mt -55.25 -64.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.74 -48.84 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.581 ' SG ' ' CE1' ' A' ' 109' ' ' PHE . 71.9 m -53.94 -61.69 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.7 t -57.62 -13.64 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -91.8 -28.46 17.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -99.29 -14.95 19.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.622 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 6.3 ttt180 -55.85 -52.16 74.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.6 Cg_endo -69.79 -5.64 16.71 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -93.74 -55.67 3.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.6 pt -77.17 -35.44 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 117' ' ' ARG . 31.4 ttmt -61.09 -55.85 27.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -62.57 -41.53 99.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -66.25 -39.95 89.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.923 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -116.43 92.83 38.08 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -14.26 35.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.346 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -79.93 -37.66 21.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.41 122.19 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.2 m -98.38 164.33 12.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.1 mt -38.28 -41.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -57.83 -50.33 66.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 134' ' ' LYS . 5.5 m-20 -71.81 -64.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 131' ' ' ASP . 59.4 t -34.82 -51.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.81 -44.52 63.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 131' ' ' ASP . 33.3 ttpt -64.16 -30.64 71.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -72.86 -21.3 60.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 28.4 mt -88.87 -32.23 17.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.62 -46.27 85.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.423 ' C ' ' OE1' ' A' ' 138' ' ' GLU . 0.9 OUTLIER -72.61 -39.63 67.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 24.9 mmm -54.57 -45.2 73.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.463 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 3.0 t-105 -64.79 -45.44 86.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -58.03 -31.46 67.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -103.6 42.05 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 30.9 m -121.36 137.0 54.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -82.26 143.82 31.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -45.57 -38.57 6.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -53.36 -49.56 66.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -63.11 -13.24 34.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.436 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 70.6 mttt -101.82 9.06 41.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.513 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.4 tt0 -55.92 -58.61 15.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.59 0.71 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.81 -38.73 7.3 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.632 2.221 . . . . 0.0 112.342 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -64.59 -39.31 93.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -77.4 -60.67 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 149' ' ' GLN . 31.6 mmtt -42.23 -47.93 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -61.75 -55.02 34.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.2 -29.68 61.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.14 96.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -57.6 -47.94 80.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.57 -40.93 89.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -60.61 -50.58 72.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -40.48 -44.39 2.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -41.78 96.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.959 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 13.1 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.519 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 21.0 mtp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.766 0.317 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -87.94 174.69 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.9 m -48.83 -49.19 40.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -65.09 -57.18 9.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.14 -38.69 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 6.6 m-85 -80.86 -53.19 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -47.99 -23.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.9 t -75.93 -33.69 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.414 ' HG3' ' NE ' ' A' ' 31' ' ' ARG . 18.6 tt0 -92.18 -16.82 25.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.2 m -75.24 -24.4 57.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.6 m -92.85 -40.96 10.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.479 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 14.9 ptt180 -59.77 -46.65 88.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 15.1 mm-40 -60.5 -43.02 97.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -60.74 -29.15 69.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -71.23 -56.07 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.451 ' HE2' ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -46.75 -20.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -84.02 -38.06 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -78.3 -47.24 18.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -133.94 94.89 17.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -47.51 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.712 2.275 . . . . 0.0 112.364 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -92.98 33.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.9 169.63 17.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.1 p -107.29 56.65 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.8 p -93.92 134.41 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -103.03 136.83 42.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.408 ' CD2' ' N ' ' A' ' 46' ' ' SER . 10.4 p90 -50.64 -56.67 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.408 ' N ' ' CD2' ' A' ' 45' ' ' PHE . 32.8 t -55.96 -55.64 30.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -51.97 -33.63 38.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -78.49 -25.72 45.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 t -72.99 -55.87 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -60.38 -21.36 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -79.63 -33.59 41.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 m -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.9 t -66.7 -59.7 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.465 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 7.8 pt-20 -67.98 -20.88 65.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -80.6 -35.99 33.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.569 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 28.4 t-105 -72.95 -36.74 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.465 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 12.7 ptmm? -72.25 -37.0 69.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.6 t -76.09 -2.61 31.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.2 mtm -85.54 116.99 24.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.7 p -58.06 158.25 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.56 -38.9 21.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.8 mtmm -57.84 -38.87 76.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -72.32 -30.25 64.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 77.6 mttt -82.47 -28.23 31.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -43.28 -64.95 1.6 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -50.69 -50.96 53.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.483 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 15.8 m-85 -53.38 -39.39 64.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -62.4 -36.22 81.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -73.79 -61.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.1 mtm -48.52 -51.07 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.12 -44.61 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -57.21 -28.92 63.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.58 -31.72 72.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.15 0 CA-C-O 120.775 0.24 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -100.73 169.66 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.27 -46.86 46.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.481 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 6.1 t80 -65.31 -33.6 76.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 114' ' ' SER . 8.4 t80 -75.44 -32.59 60.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.3 mt -69.16 -48.79 61.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.531 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 1.5 t80 -64.8 -58.51 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.495 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.7 p -54.92 -31.3 60.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.475 ' N ' ' HG ' ' A' ' 113' ' ' CYS . 14.2 t -74.55 -35.76 63.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -78.91 -21.89 46.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -96.43 -17.27 20.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.62 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 11.5 ttp180 -56.36 -52.33 73.96 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.582 0.706 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.5 Cg_endo -69.74 -1.61 8.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.364 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -103.78 -36.73 7.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 21.1 pt -91.41 -37.98 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -56.54 -37.3 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.46 -30.11 41.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.536 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.69 -45.9 49.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.46 ' CB ' HD11 ' A' ' 127' ' ' LEU . 15.6 m-70 -109.85 88.82 7.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.553 0.692 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -6.32 18.32 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -91.26 -40.15 5.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.46 HD11 ' CB ' ' A' ' 124' ' ' HIS . 22.2 mt -57.48 127.41 31.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 129' ' ' ILE . 82.8 p -100.66 162.43 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 128' ' ' SER . 18.3 mt -36.5 -37.63 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.32 -52.86 43.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 134' ' ' LYS . 2.3 m-20 -71.11 -58.33 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 131' ' ' ASP . 54.5 t -34.28 -44.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.05 89.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 131' ' ' ASP . 31.5 tptt -62.9 -23.0 67.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -76.41 -30.41 57.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.0 mt -88.77 -39.22 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -52.65 -39.81 54.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -81.43 -36.31 29.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.1 -42.29 98.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.531 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 13.0 t-105 -68.46 -35.11 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -72.19 -27.53 62.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -89.17 -36.42 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 20.6 m -42.72 148.95 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -81.6 152.54 27.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.52 83.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -57.38 -36.2 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.78 -19.44 62.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.466 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 27.2 mttp -92.75 -18.39 22.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.504 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.7 tt0 -34.78 -59.09 0.63 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.523 0.677 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.8 Cg_endo -69.77 -45.16 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.655 2.237 . . . . 0.0 112.379 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.452 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 15.0 m-85 -53.63 -31.65 48.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.01 -53.79 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -50.24 -36.9 33.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -75.61 -50.9 14.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.86 -18.41 8.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -75.74 -60.9 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 158' ' ' LEU . 12.7 pttt -49.71 -38.58 33.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.466 ' N ' ' HG3' ' A' ' 157' ' ' LYS . 12.6 mt -59.54 -40.51 87.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -48.38 -39.42 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -51.95 -53.08 45.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -50.29 -24.92 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.932 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.562 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 8.8 mtm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.735 0.302 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -108.71 -176.65 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -57.04 -48.95 77.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -64.65 -60.24 3.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.24 -40.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 9.7 m-85 -78.32 -55.0 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -47.48 -31.76 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.2 t -73.11 -32.21 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -92.29 -15.43 27.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.0 m -86.71 -46.64 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.5 p -67.82 -33.87 75.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -59.69 -46.14 89.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 50.0 mm-40 -71.99 -48.27 46.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -49.84 -31.73 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -68.73 -60.43 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.22 -25.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -82.41 -40.54 21.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -69.45 -43.78 72.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -134.8 94.67 16.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.7 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.638 2.225 . . . . 0.0 112.372 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.85 -37.96 60.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.22 124.59 23.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.8 m -104.14 95.63 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.501 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 12.0 p -90.2 128.7 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -67.44 160.08 28.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -84.08 -47.97 10.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -57.64 -46.92 83.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.564 ' CD ' ' N ' ' A' ' 48' ' ' PHE . 2.1 pp20? -62.61 -45.7 91.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.564 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 11.9 t80 -53.89 -26.11 23.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.2 t -71.7 -50.81 26.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -61.15 -19.56 61.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -87.29 -57.42 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.0 p -46.97 -25.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.6 t -67.62 -71.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.22 -17.67 64.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -84.01 -22.18 31.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.574 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 24.1 t-105 -88.72 -36.7 16.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -70.0 -27.22 64.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.2 t -88.41 7.41 32.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.573 ' HE1' ' CE3' ' A' ' 56' ' ' TRP . 35.9 mtp -94.57 112.66 24.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.5 m -53.22 155.97 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.09 -38.22 11.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -56.47 -48.81 76.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.73 -51.16 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 92.4 mttt -61.37 -34.04 74.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -34.99 -66.95 0.3 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.546 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 7.9 ptpp? -48.03 -31.69 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.338 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.563 ' CD1' ' HB2' ' A' ' 26' ' ' PHE . 81.4 m-85 -83.83 -23.13 31.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' GLY . 10.7 mt-10 -81.61 -20.81 38.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -93.62 -36.32 12.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.467 ' HE2' ' CD1' ' A' ' 67' ' ' PHE . 8.8 ptp -75.2 -23.09 57.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.37 -45.22 23.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 7.5 ptmt -60.39 -35.4 75.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.443 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -57.79 -31.58 66.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.9 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.466 -0.106 0 CA-C-O 120.823 0.26 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.1 m -126.99 171.52 11.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.39 -64.41 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.498 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 10.7 t80 -45.39 -51.59 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -57.57 -43.02 84.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.85 -56.26 18.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.657 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.3 OUTLIER -57.34 -47.61 81.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.406 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.4 p -65.67 -32.9 74.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.2 m -71.67 -18.32 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -99.37 -15.88 18.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.623 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 3.1 m-85 -97.07 -40.83 8.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.563 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 0.4 OUTLIER -44.04 -55.26 9.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 110.884 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.2 Cg_endo -69.76 -16.37 37.54 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.353 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -88.28 -30.1 19.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 121' ' ' LYS . 12.4 pt -94.26 -47.15 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.445 ' N ' HG13 ' A' ' 120' ' ' ILE . 0.8 OUTLIER -44.0 -41.13 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.71 -36.53 75.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.472 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -71.86 -40.8 68.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -112.19 90.47 13.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.599 0.714 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -9.64 26.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -85.39 -39.1 8.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.15 132.83 54.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 129' ' ' ILE . 23.1 t -106.5 163.29 12.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 128' ' ' SER . 51.1 mt -34.5 -38.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.09 -56.38 16.33 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 134' ' ' LYS . 7.2 m-20 -65.57 -61.19 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.359 . . . . 0.0 110.817 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 131' ' ' ASP . 89.6 t -34.52 -39.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.05 -48.97 79.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 131' ' ' ASP . 4.4 ttpm? -53.43 -36.89 62.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 139' ' ' MET . 9.2 tptt -64.85 -31.94 73.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.7 mt -81.62 -35.11 30.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.86 -44.43 97.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.485 ' O ' ' ND2' ' A' ' 142' ' ' ASN . 13.2 pt-20 -78.28 -46.81 19.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 14.3 mmm -44.64 -58.17 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.657 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 7.2 t-105 -52.29 -51.29 59.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -51.92 -34.47 41.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 138' ' ' GLU . 19.8 m-80 -102.04 41.35 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 48.5 m -109.4 142.37 40.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -74.66 136.97 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -51.97 -41.75 62.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -58.74 -34.0 70.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -73.14 -18.19 61.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.567 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 30.5 mttm -91.31 -24.2 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.527 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.8 tt0 -33.6 -58.09 0.56 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.4 Cg_endo -69.77 -25.93 28.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.246 . . . . 0.0 112.329 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.502 ' N ' ' O ' ' A' ' 148' ' ' LYS . 13.7 m-85 -79.76 -21.17 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -94.07 -54.25 3.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -53.52 -41.4 66.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -56.47 15.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.86 -41.26 57.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -51.15 -44.34 61.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -58.09 -46.39 85.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.14 -31.09 69.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -65.56 -48.85 71.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -45.41 -57.65 3.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.94 -34.64 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 25.4 mtp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.814 0.34 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -96.17 -175.17 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -54.69 -53.34 56.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.799 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -60.86 -62.89 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.58 -36.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 8.0 m-85 -83.15 -40.77 19.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.41 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -59.57 -33.07 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.38 -27.75 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.066 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.438 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 4.6 tt0 -91.54 -17.36 25.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.5 m -82.5 -32.72 28.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.1 m -84.12 -33.05 24.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' A' ' 28' ' ' GLN . 6.7 ptp180 -70.43 -37.97 74.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -73.9 -44.33 55.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.33 -34.01 70.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.443 ' CD2' HG11 ' A' ' 43' ' ' VAL . 25.6 t60 -58.42 -66.59 0.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -43.07 -30.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -74.0 -48.69 28.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.0 mmtt -62.77 -41.69 99.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -133.96 94.63 18.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.553 0.692 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -36.0 11.67 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.344 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.61 -34.26 69.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.77 118.82 16.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -102.91 96.16 6.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.443 HG11 ' CD2' ' A' ' 34' ' ' HIS . 11.3 p -85.75 142.07 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -80.05 152.61 29.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -70.96 -57.64 4.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -50.77 -53.62 30.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -57.09 -40.01 76.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.496 ' CE2' ' SG ' ' A' ' 52' ' ' CYS . 49.8 t80 -67.44 -35.06 78.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' A' ' 50' ' ' LYS . 3.0 p -53.56 -58.57 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' N ' ' OG ' ' A' ' 49' ' ' SER . 3.5 ptmm? -58.48 -19.49 37.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -81.78 -26.88 34.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.496 ' SG ' ' CE2' ' A' ' 48' ' ' PHE . 94.3 m -79.79 -26.86 40.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -70.71 -49.2 49.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -76.41 -14.65 60.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.5 mtt-85 -90.42 -28.93 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.518 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 47.4 t-105 -77.58 -38.57 48.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -70.23 -39.71 74.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.5 t -66.68 -40.4 88.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.3 mtm -51.28 110.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.0 m -47.6 175.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.33 -27.92 69.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -70.46 -56.56 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -50.27 -29.71 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.518 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 97.0 mttt -80.2 -28.84 38.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.8 -55.13 3.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -54.26 -36.65 63.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -78.25 -28.05 47.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.2 -30.43 64.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -84.55 -42.78 15.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.1 ptp -63.23 -27.28 69.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.98 -45.78 73.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -54.39 -53.41 54.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.93 82.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.152 0 CA-C-O 120.787 0.245 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 108' ' ' ALA . 5.2 p -118.49 154.13 33.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -34.56 -43.82 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.597 ' CE1' ' SG ' ' A' ' 113' ' ' CYS . 23.8 t80 -58.03 -61.21 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -47.35 -43.24 22.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 114' ' ' SER . 68.0 mt -60.61 -66.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.6 ' CE2' ' CZ ' ' A' ' 116' ' ' TYR . 0.4 OUTLIER -41.38 -45.0 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.597 ' SG ' ' CE1' ' A' ' 109' ' ' PHE . 13.4 m -67.67 -34.34 76.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 111' ' ' LEU . 11.1 t -65.1 -14.82 61.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -101.36 -31.24 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.6 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 5.2 m-85 -81.58 -35.8 29.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.568 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 7.8 ttm180 -45.67 -55.62 12.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.0 Cg_endo -69.71 -14.74 36.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.382 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -97.11 -19.36 18.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 116' ' ' TYR . 3.4 pt -101.76 -48.63 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.403 ' N ' ' CG1' ' A' ' 120' ' ' ILE . 26.2 ttpp -48.51 -43.6 35.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.82 -36.25 86.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -70.0 -41.91 73.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.456 ' CG ' HD11 ' A' ' 127' ' ' LEU . 63.9 m-70 -111.86 92.89 18.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.9 Cg_endo -69.7 -7.47 21.12 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -93.61 -31.58 8.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.456 HD11 ' CG ' ' A' ' 124' ' ' HIS . 17.0 mt -60.24 134.81 57.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.8 t -107.98 166.99 10.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 56.9 mt -44.18 -36.34 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.52 -50.52 36.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 132' ' ' VAL . 11.7 m-20 -69.02 -58.62 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 131' ' ' ASP . 53.8 t -36.14 -45.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.85 -59.72 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.24 -36.55 9.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -63.51 -33.18 75.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 22.1 mt -82.38 -25.09 34.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.419 ' O ' ' ND2' ' A' ' 141' ' ' ASN . . . -68.74 -44.31 70.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.494 ' OE1' ' ND2' ' A' ' 142' ' ' ASN . 2.1 pp20? -71.52 -35.64 70.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 30.7 mtt -54.8 -64.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.541 ' CD1' ' HB2' ' A' ' 109' ' ' PHE . 1.7 t-105 -47.56 -38.78 14.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 137' ' ' GLY . 62.7 m-80 -72.66 -24.19 61.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . 0.494 ' ND2' ' OE1' ' A' ' 138' ' ' GLU . 21.3 p30 -111.29 26.91 10.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.4 m -110.97 138.9 46.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.63 144.59 45.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.044 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.84 -38.74 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -55.21 -35.33 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -73.45 -14.81 61.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -98.03 2.75 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.498 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.9 tt0 -51.06 -58.84 9.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.75 -21.57 33.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.728 2.286 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.515 ' CZ ' ' HA ' ' A' ' 112' ' ' PHE . 22.5 m-85 -85.21 -22.9 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -92.52 -53.41 4.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -51.05 -47.41 61.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -49.32 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -49.12 -30.59 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.95 -59.88 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -50.74 -26.59 5.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.84 -38.97 31.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 160' ' ' GLU . 0.3 OUTLIER -61.57 -48.63 80.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 161' ' ' LYS . 10.6 pt-20 -61.07 -50.82 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 160' ' ' GLU . 2.7 mmmp? -52.38 -21.18 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.7 mtp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' SER . 3.6 t -93.32 156.78 16.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' SER . 1.9 m -36.69 -67.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.481 ' CD1' ' CG ' ' A' ' 56' ' ' TRP . 39.8 t80 -51.97 -46.08 64.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.946 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.48 -34.78 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -80.95 -44.12 18.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -55.23 -16.89 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.0 t -92.38 -26.93 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -91.95 -23.52 19.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 m -77.17 -64.98 1.01 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.5 m -51.34 -40.78 59.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.475 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 7.4 ptm180 -64.83 -38.24 90.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 36' ' ' LYS . 6.2 mm-40 -78.46 -21.46 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -80.89 -32.84 34.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LYS . 3.0 t60 -59.84 -57.54 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -39.54 -29.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.4 OUTLIER -80.51 -41.32 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' HIS . 17.7 mmtp -69.75 -43.2 72.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -134.73 93.99 17.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.612 0.72 . . . . 0.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.358 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.83 33.79 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.43 178.59 6.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.08 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.8 m -127.78 101.99 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 p -126.31 144.22 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -103.62 179.43 4.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -98.42 -50.87 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -64.06 -20.59 66.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -85.64 -43.86 13.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 7.6 t80 -64.41 -23.49 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -82.95 -42.12 18.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.9 pttt -72.57 -20.99 61.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -86.49 -38.56 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.4 p -69.28 -24.63 63.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -75.85 -40.2 55.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -84.01 -14.03 51.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -91.17 -45.85 8.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.563 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 41.4 t-105 -58.51 -33.1 69.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.21 -40.04 46.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.941 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 t -80.21 12.69 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.9 mtm -95.6 111.83 23.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 64.7 m -47.21 161.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.88 -29.99 56.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -68.58 -52.45 31.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -51.92 -35.38 45.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.518 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 90.8 mttt -80.6 -32.61 36.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -36.6 -54.7 1.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.451 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -54.37 -56.35 19.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 31.0 m-85 -54.96 -33.78 62.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.93 -32.06 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -79.74 -39.44 31.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.401 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 5.0 mtm -70.3 -43.07 71.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.86 -48.25 82.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.453 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 13.3 pttm -64.55 -45.4 87.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.453 ' N ' ' CG ' ' A' ' 72' ' ' LYS . . . -70.05 -29.76 66.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.09 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 70' ' ' MET . 52.1 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.796 0.248 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 109' ' ' PHE . 41.9 p -111.63 154.79 24.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.4 -32.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.518 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 7.7 t80 -73.51 -55.86 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -57.36 -36.81 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 43.3 mt -63.1 -55.04 28.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.541 ' HB2' ' CE2' ' A' ' 151' ' ' TYR . 0.9 OUTLIER -56.61 -55.7 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.489 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 4.1 p -59.5 -31.15 69.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.441 ' N ' ' HG ' ' A' ' 113' ' ' CYS . 2.0 t -65.9 -24.09 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.851 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -90.26 -23.4 21.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -98.51 -11.86 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.632 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 13.6 ttp180 -60.23 -52.3 74.16 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.63 0.729 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.1 Cg_endo -69.78 3.22 2.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -103.24 -50.41 3.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 9.3 pt -80.27 -37.93 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -51.6 -36.82 47.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.82 -16.4 75.27 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -87.26 -42.99 12.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -112.58 92.2 19.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.542 0.687 . . . . 0.0 110.83 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 1.71 4.16 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -98.98 -41.03 3.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.3 mt -52.42 119.61 4.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 130' ' ' GLY . 89.7 p -90.43 159.26 16.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' SER . 28.7 mt -33.71 -36.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 128' ' ' SER . . . -72.43 -54.35 7.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 132' ' ' VAL . 9.0 m-20 -60.04 -58.23 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ASP . 56.8 t -36.27 -51.88 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.54 20.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -53.1 -20.82 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 16.4 tptm -78.77 -42.64 27.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.454 ' CD1' ' HB2' ' A' ' 113' ' ' CYS . 5.7 mt -74.4 -12.16 60.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.36 -38.51 95.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 0.7 OUTLIER -66.67 -40.78 88.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.377 . . . . 0.0 110.908 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -57.58 -57.74 11.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.518 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 2.3 t-105 -52.58 -37.37 57.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -74.76 -29.59 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -103.72 27.54 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.5 m -120.07 109.37 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -44.24 139.34 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -54.01 -25.93 23.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -59.37 -36.48 75.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -71.2 -22.79 61.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.485 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 75.6 mttt -86.88 -4.48 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.494 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.2 tt0 -43.23 -59.63 3.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.538 0.685 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.8 Cg_endo -69.79 -26.77 27.1 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.354 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 10.6 m-85 -74.11 -27.79 61.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -91.53 -50.86 5.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -51.22 -41.03 60.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -68.08 -63.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -41.35 -37.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -53.68 -62.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -43.52 -57.95 2.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 78.8 mt -44.93 -46.54 11.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -43.07 -57.11 3.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -40.9 -43.32 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -60.74 -45.58 93.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.562 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 46.0 mtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.761 0.315 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' SER . 84.3 p -78.55 155.75 29.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' SER . 0.9 OUTLIER -36.0 -47.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 -179.806 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CD1' ' CG ' ' A' ' 56' ' ' TRP . 57.6 t80 -66.67 -56.35 11.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.24 -42.2 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.043 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 2.5 m-85 -80.94 -49.16 11.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.538 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -51.09 -33.41 25.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.56 -32.83 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -91.5 -19.58 22.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.9 m -82.93 -48.9 10.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 m -65.82 -34.01 77.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 14.0 ptt180 -72.73 -44.73 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 4.3 pt-20 -67.21 -46.74 72.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 10.3 mt-10 -52.0 -37.13 52.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' LYS . 8.9 t60 -60.52 -63.58 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' N ' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -38.31 -31.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.906 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' HIS . 1.9 mptp? -77.28 -47.32 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' HIS . 26.3 mmtm -63.08 -43.02 99.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -134.2 94.36 18.11 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.54 0.686 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.66 1.52 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -54.92 -42.19 71.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.19 126.92 29.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -106.92 104.74 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.9 p -99.08 133.31 42.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -74.6 162.82 28.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -89.32 -51.22 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 m -53.88 -44.34 70.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -67.66 -50.66 56.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 15.8 t80 -41.76 -36.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -53.78 -45.07 70.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.86 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -77.66 -60.54 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.5 p -47.96 -31.42 5.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.1 t -68.17 -61.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -63.36 -24.16 67.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.46 ' HA ' ' CG2' ' A' ' 58' ' ' THR . 26.9 mtt-85 -82.84 -32.72 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.489 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 35.1 t-105 -67.8 -38.02 82.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -72.34 -51.38 20.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.46 ' CG2' ' HA ' ' A' ' 55' ' ' ARG . 6.0 t -55.84 -48.29 75.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' THR . 5.4 mtm -35.72 120.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 90.8 p -65.03 154.26 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.13 -44.53 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.067 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -49.82 -56.46 10.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -52.91 -60.05 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 81.1 mttt -49.74 -36.83 26.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -42.15 -72.48 0.28 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 3.4 pttm -47.26 -36.34 8.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.324 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 26' ' ' PHE . 25.2 m-85 -70.74 -29.29 65.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -79.6 -42.65 24.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -65.55 -36.79 84.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 17.0 ptp -76.77 -35.74 57.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.98 -45.77 63.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 12.3 ptmt -56.18 -34.64 66.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.453 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -48.94 -42.06 35.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.778 0.241 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -123.3 175.83 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.37 -53.52 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.49 ' HB2' ' NE1' ' A' ' 140' ' ' TRP . 14.0 t80 -45.0 -70.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 109' ' ' PHE . 52.5 t80 -37.9 -42.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.21 -44.27 76.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 113' ' ' CYS . 0.7 OUTLIER -66.07 -54.91 19.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.489 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -60.72 -34.36 74.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.4 t -71.52 -33.2 68.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -82.33 -21.72 35.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.524 ' CD2' ' HE1' ' A' ' 139' ' ' MET . 3.9 m-85 -93.54 -30.92 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.64 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 8.4 ttp180 -43.59 -51.75 15.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.1 Cg_endo -69.83 -19.5 35.7 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.348 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -85.51 -68.31 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.453 HD11 ' CG1' ' A' ' 132' ' ' VAL . 41.7 pt -51.32 -36.34 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.425 ' N ' HG13 ' A' ' 120' ' ' ILE . 26.2 ttpp -57.78 -47.27 83.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -65.99 -38.65 94.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.82 -42.8 90.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.449 ' CG ' HD13 ' A' ' 127' ' ' LEU . 36.3 m-70 -110.11 94.62 18.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.8 Cg_endo -69.75 3.17 2.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.378 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -104.97 -41.8 1.9 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.449 HD13 ' CG ' ' A' ' 124' ' ' HIS . 69.8 mt -48.27 124.72 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.355 . . . . 0.0 110.913 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 129' ' ' ILE . 49.9 m -97.39 158.51 15.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 128' ' ' SER . 43.1 mt -33.99 -39.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.24 -53.96 12.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 132' ' ' VAL . 20.4 m-20 -66.18 -54.88 19.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.453 ' CG1' HD11 ' A' ' 120' ' ' ILE . 98.6 t -35.96 -44.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.04 -51.69 68.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.435 ' HE3' ' N ' ' A' ' 134' ' ' LYS . 0.1 OUTLIER -46.25 -39.41 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.1 -33.94 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 16.5 mt -86.59 -24.59 25.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -67.75 -41.25 89.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.76 -42.93 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.524 ' HE1' ' CD2' ' A' ' 116' ' ' TYR . 37.6 mtp -46.52 -54.29 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.551 ' CH2' ' HG2' ' A' ' 148' ' ' LYS . 5.3 t-105 -54.29 -50.32 67.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -50.49 -39.64 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -100.4 38.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.453 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 66.0 m -111.27 134.6 52.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.425 ' N ' HG23 ' A' ' 143' ' ' THR . . . -79.57 162.28 25.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.39 87.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.94 -48.88 60.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.453 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 9.7 t70 -60.59 -18.23 51.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.551 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 59.9 mttt -102.16 19.27 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.523 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.3 tt0 -68.5 -57.46 8.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 110.948 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.7 Cg_endo -69.79 -34.53 14.28 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.411 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 26.0 m-85 -67.95 -36.19 79.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -77.04 -52.52 9.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -53.72 -51.5 63.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.83 -59.91 4.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -37.11 -36.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -53.21 -50.26 65.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.417 ' NZ ' ' HA ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -54.2 -51.37 64.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 159' ' ' LYS . 20.9 mt -49.78 -54.48 18.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 158' ' ' LEU . 31.6 tttp -37.03 -42.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -40.26 -51.16 2.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -52.58 -52.4 55.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 31.8 t80 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.404 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 41.3 mtp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -96.9 157.07 16.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.401 ' OG ' ' CZ2' ' A' ' 56' ' ' TRP . 68.2 p -38.47 -45.24 1.02 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -61.07 -57.4 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.47 -39.91 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.404 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 17.5 m-85 -77.8 -57.99 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -45.12 -42.52 8.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.2 -30.02 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.39 -14.38 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.8 m -83.05 -35.97 25.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.7 p -77.86 -34.28 51.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -68.82 -37.4 79.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.539 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 8.0 pt-20 -71.7 -50.28 31.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.539 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 11.3 mt-10 -54.01 -39.86 66.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' LYS . 53.8 t60 -64.16 -67.73 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -41.52 -24.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' HIS . 17.0 mmmt -81.27 -45.99 15.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -67.47 -42.53 82.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 14.6 m-70 -132.94 94.52 20.71 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.592 0.71 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 54.5 Cg_endo -69.68 -45.36 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.7 2.267 . . . . 0.0 112.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -59.38 -40.09 85.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.44 106.81 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.2 m -92.54 89.53 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 44' ' ' ASN . 13.4 p -90.14 141.7 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.421 ' N ' HG21 ' A' ' 43' ' ' VAL . 34.8 m-20 -76.7 176.23 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 46' ' ' SER . 25.8 p90 -88.91 -47.7 7.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 25.5 t -61.83 -39.14 90.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.05 -41.29 99.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -75.41 -34.75 61.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 1.6 m -60.53 -58.28 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -57.7 -25.29 60.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.75 -43.11 26.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 49' ' ' SER . 15.0 p -67.75 -29.81 69.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.2 t -66.37 -49.53 66.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -77.61 -21.23 52.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.401 ' HA ' ' CG2' ' A' ' 58' ' ' THR . 78.6 mtt180 -82.97 -23.98 33.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.486 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 48.1 t-105 -80.53 -35.48 34.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -80.22 -30.2 38.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.401 ' CG2' ' HA ' ' A' ' 55' ' ' ARG . 14.1 t -75.03 -27.69 60.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.556 ' HE1' ' CE2' ' A' ' 67' ' ' PHE . 5.3 mtm -64.97 128.09 34.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.2 m -68.25 168.37 12.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.07 -49.29 66.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -48.64 -38.2 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -70.9 -44.35 66.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.418 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 71.0 mttt -69.02 -25.42 64.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -38.93 -67.72 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.4 pttm -56.74 -37.51 71.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.556 ' CE2' ' HE1' ' A' ' 59' ' ' MET . 33.5 m-85 -67.08 -23.16 65.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -78.33 -47.37 17.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -70.63 -55.82 7.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.7 ptp -48.65 -31.56 6.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.73 75.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -55.85 -37.53 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.61 -38.02 30.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.0 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.502 ' HB2' ' CD1' ' A' ' 110' ' ' PHE . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.125 0 CA-C-O 120.823 0.26 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.3 p -115.11 178.73 4.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.62 -37.44 63.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.49 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 3.0 t80 -62.75 -48.34 79.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.502 ' CD1' ' HB2' ' A' ' 106' ' ' PRO . 4.0 t80 -58.7 -45.87 88.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.8 mt -60.11 -46.01 91.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.586 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -64.34 -49.66 70.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.404 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.7 p -61.8 -29.46 70.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.9 t -76.47 -16.26 59.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -101.44 -15.83 17.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.412 ' HA ' ' HB3' ' A' ' 119' ' ' LYS . 6.8 m-85 -103.89 -44.18 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.572 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 6.4 ttt180 -38.28 -55.21 2.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.617 0.723 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.6 Cg_endo -69.71 -28.06 25.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 116' ' ' TYR . 7.8 tttt -70.68 -55.45 8.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 21.2 pt -67.58 -32.43 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -56.9 -46.98 81.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -66.69 -35.22 89.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -45.07 71.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.428 ' CG ' HD13 ' A' ' 127' ' ' LEU . 68.7 m-70 -108.55 93.32 11.61 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 0.1 6.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -100.84 -35.76 4.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.436 HD21 ' CB ' ' A' ' 131' ' ' ASP . 23.2 mt -50.58 127.71 18.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 131' ' ' ASP . 4.3 m -96.15 155.92 16.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 39.7 mt -40.39 -35.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -66.58 -39.26 93.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 134' ' ' LYS . 1.6 m-20 -79.93 -61.63 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 131' ' ' ASP . 72.4 t -32.75 -34.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 131' ' ' ASP . . . -77.88 -46.24 21.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 131' ' ' ASP . 8.6 ptpt -56.33 -35.07 67.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 42.1 mttt -68.87 -27.5 65.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.7 mt -82.88 -35.74 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -55.87 -39.73 78.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.471 ' O ' ' ND2' ' A' ' 142' ' ' ASN . 11.1 pt-20 -89.17 -41.95 11.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 110.83 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 13.3 mmm -43.52 -49.96 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.586 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 7.5 t-105 -59.73 -52.54 65.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -48.36 -43.67 33.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 138' ' ' GLU . 45.3 m-80 -72.79 -36.0 67.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 22.1 m -52.2 125.93 17.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.54 165.58 9.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.078 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.48 -32.22 72.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.95 -49.17 77.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -58.83 -12.47 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.488 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 84.9 mttt -99.86 20.86 13.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.513 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.8 tt0 -67.57 -58.15 8.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.624 0.726 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.74 -14.91 36.82 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.297 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -92.73 -52.96 4.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.61 -54.41 43.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -58.95 -41.38 87.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 150' ' ' PRO . 6.4 mmmt -57.11 -58.71 7.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -48.41 -40.13 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -48.34 -47.72 36.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -58.48 -45.01 89.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.28 -45.01 94.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -47.29 -34.15 6.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -57.96 -42.42 84.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -63.52 -20.16 65.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 7.7 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 19.3 mtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 22' ' ' SER . 4.4 t -86.32 163.8 17.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 21' ' ' SER . 3.7 m -36.36 -62.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -54.76 -58.72 6.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.975 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.36 -39.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 4.1 m-85 -81.06 -59.81 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.554 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -42.5 -44.26 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.0 t -56.78 -35.46 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -89.35 -15.49 33.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 m -77.86 -29.15 50.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 p -82.35 -47.88 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 7.8 ptm180 -47.39 -44.35 24.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.449 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 19.7 mt-10 -61.65 -43.02 99.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -57.75 -33.45 68.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' LYS . 8.7 t60 -68.08 -58.65 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.472 ' HE2' ' N ' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -42.1 -25.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.931 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 34' ' ' HIS . 18.6 mmtp -80.08 -42.29 23.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' HIS . 4.3 mmpt? -71.23 -45.41 63.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 9.1 m-70 -134.23 93.49 19.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.711 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.79 -49.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -59.72 -33.89 72.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.4 122.57 21.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.2 p -99.38 71.06 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.7 p -42.72 125.1 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.9 136.24 56.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -68.49 -58.89 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.0 m -44.64 -48.65 10.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -66.49 -51.27 58.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -41.38 -40.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.1 t -45.75 -53.19 9.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -52.4 -28.59 20.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -73.38 -55.01 6.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.0 m -54.98 -36.77 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.6 p -66.89 -57.7 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -58.84 -22.5 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.7 -41.53 14.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.499 ' CD2' ' HE2' ' A' ' 64' ' ' LYS . 74.0 t-105 -67.9 -36.15 79.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 58' ' ' THR . 13.9 ptmt -72.12 -42.6 65.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.465 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 15.2 t -74.64 -40.92 61.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.4 mtm -50.05 122.49 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 p -76.38 175.39 9.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.28 -38.45 65.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 19.0 pttp -52.27 -44.53 65.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 62' ' ' LYS . 5.6 mm-40 -72.32 -58.35 3.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.499 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 71.2 mttt -53.01 -30.1 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.38 -78.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 46.7 pttt -41.51 -49.82 3.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 14.0 m-85 -54.22 -39.49 66.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.72 -34.67 77.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -73.89 -37.86 64.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.6 mtm -69.09 -48.55 62.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.68 87.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 10.0 ptmt -70.23 -35.63 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -57.14 -37.02 71.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.45 ' OD1' ' C ' ' A' ' 74' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.744 0.227 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 110' ' ' PHE . 68.4 m -118.34 157.68 26.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -36.07 -55.13 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.081 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.57 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 8.1 t80 -53.4 -37.87 62.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 107' ' ' SER . 10.4 t80 -69.77 -54.18 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 41.0 mt -50.31 -49.14 54.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.458 ' CE2' ' CZ ' ' A' ' 116' ' ' TYR . 2.1 t80 -60.41 -56.15 24.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.419 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.9 p -57.5 -29.57 64.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.0 t -73.18 -22.45 60.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -94.76 -21.61 18.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.458 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 4.7 m-85 -94.28 -22.13 18.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.629 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 7.3 ttp180 -52.55 -52.04 67.45 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.76 -4.33 13.8 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -98.83 -37.88 9.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.9 pt -89.58 -36.85 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -56.66 -42.45 78.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -71.4 -35.6 63.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -70.76 -43.73 68.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.382 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.436 ' CG ' HD13 ' A' ' 127' ' ' LEU . 21.9 m-70 -112.28 91.34 16.04 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.632 0.729 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -18.08 37.27 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.644 2.229 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.01 -41.11 10.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.436 HD13 ' CG ' ' A' ' 124' ' ' HIS . 48.6 mt -48.06 127.48 12.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 129' ' ' ILE . 10.3 p -96.25 159.34 15.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 128' ' ' SER . 69.5 mt -36.27 -44.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.05 -54.43 33.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 132' ' ' VAL . 45.3 m-20 -63.77 -59.21 4.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.824 0.345 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 131' ' ' ASP . 91.6 t -35.8 -39.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.37 -51.28 70.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.27 -38.19 39.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -61.51 -26.96 68.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.6 mt -91.18 -32.64 15.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.04 -38.75 77.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 139' ' ' MET . 12.0 pt-20 -80.96 -47.38 13.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.444 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 25.0 mtt -39.46 -57.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.57 ' CD1' ' HB2' ' A' ' 109' ' ' PHE . 2.1 t-105 -55.48 -41.5 73.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -65.92 -24.25 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -100.39 28.36 5.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 16.3 m -113.99 150.35 33.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -92.25 153.13 19.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.105 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -51.24 -41.97 60.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.28 -30.95 69.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.84 12.39 7.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -125.07 -16.86 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.629 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 3.0 tp60 -45.43 -51.64 25.96 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.58 0.705 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.5 Cg_endo -69.76 -38.4 7.86 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.3 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -66.8 -25.22 66.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -93.81 -61.2 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -40.66 -38.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -72.05 -47.36 52.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.48 77.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -48.22 -49.21 33.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -48.58 -42.77 34.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 17.4 mt -72.34 -32.41 66.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -59.34 -43.71 92.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -49.74 -46.42 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -61.38 -46.73 88.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 10.1 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.556 ' HE2' ' CD1' ' A' ' 25' ' ' PHE . 8.7 mtm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.754 0.311 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.1 m -105.22 176.43 5.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.8 p -48.43 -57.3 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.467 ' CD1' ' CG ' ' A' ' 56' ' ' TRP . 46.4 t80 -62.46 -55.39 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.66 -36.57 7.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.072 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.556 ' CD1' ' HE2' ' A' ' 20' ' ' MET . 8.7 m-85 -80.4 -49.17 11.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.511 ' CE1' ' SD ' ' A' ' 59' ' ' MET . 0.5 OUTLIER -51.63 -28.99 16.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.51 -29.99 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -92.12 -23.86 19.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -71.11 -24.03 62.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 95.8 m -91.64 -37.38 13.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 7.9 ptm180 -65.04 -43.39 92.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 31.5 mt-10 -66.83 -45.87 76.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -64.41 -30.91 71.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' LYS . 39.0 t60 -63.55 -70.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -38.99 -26.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -76.54 -42.24 43.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' HIS . 32.9 mmtt -82.04 -47.91 12.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . 33.1 m-70 -134.51 93.22 18.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 0.0 110.821 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -46.91 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -100.94 36.92 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.458 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . . . -83.68 30.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.5 t 41.63 47.24 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.9 p -79.24 128.19 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -103.74 136.66 43.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -67.1 -44.56 79.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -60.27 -43.78 95.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -67.4 -52.7 36.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -49.34 -35.82 19.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.2 t -63.11 -52.54 62.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -68.19 -32.01 71.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -67.9 -43.49 79.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.7 m -58.67 -35.65 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.4 t -66.21 -58.36 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.89 -17.04 62.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.4 mtt85 -92.49 -23.97 18.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.479 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 59.3 t-105 -83.32 -34.29 25.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -23.47 58.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.9 t -91.05 -28.44 17.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.511 ' SD ' ' CE1' ' A' ' 26' ' ' PHE . 13.9 mtp -57.04 111.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 t -52.95 161.16 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.09 -38.99 55.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -57.03 -39.57 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -70.35 -41.48 73.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 80.5 mttt -71.46 -26.63 62.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.53 -67.48 1.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -50.43 -37.53 38.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.497 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 29.4 m-85 -70.19 -27.22 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.93 -37.41 62.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -75.94 -56.06 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.497 ' HE2' ' CD1' ' A' ' 67' ' ' PHE . 9.6 ptp -53.32 -38.15 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.07 92.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -67.08 -30.82 70.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.8 -23.86 67.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.771 0.238 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 110' ' ' PHE . 3.7 p -112.15 154.73 25.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -35.38 -46.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.591 ' CE1' ' SG ' ' A' ' 113' ' ' CYS . 12.7 t80 -64.5 -44.66 90.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 107' ' ' SER . 27.6 t80 -63.06 -44.3 96.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.5 mt -56.16 -61.97 2.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.557 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 0.6 OUTLIER -50.16 -45.65 53.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.591 ' SG ' ' CE1' ' A' ' 109' ' ' PHE . 89.8 m -61.96 -42.7 99.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 t -67.29 -8.52 32.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -99.3 -35.02 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.466 ' C ' ' HD2' ' A' ' 118' ' ' PRO . 2.8 m-85 -86.6 -34.97 19.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.602 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 7.9 ttt180 -35.51 -53.29 1.32 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.1 Cg_endo -69.73 -31.81 19.9 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 116' ' ' TYR . 0.0 OUTLIER -74.78 -24.99 58.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 121' ' ' LYS . 47.2 pt -97.53 -33.46 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.41 ' N ' HG13 ' A' ' 120' ' ' ILE . 35.9 ttpt -60.63 -54.07 49.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -56.28 -24.74 46.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -85.18 -51.28 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.385 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -111.62 88.68 9.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -11.74 31.43 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.258 . . . . 0.0 112.36 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -80.11 -43.4 9.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 92.6 mt -56.87 135.89 55.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.9 t -109.33 176.98 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 39.0 mt -44.75 -41.36 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.11 -58.65 9.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 132' ' ' VAL . 66.1 m-20 -65.22 -61.28 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' ASP . 43.4 t -33.85 -50.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.6 -49.59 61.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 131' ' ' ASP . 1.4 tmtp? -53.38 -35.64 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -68.96 -23.31 64.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 21.0 mt -93.01 -24.2 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.77 -43.09 96.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -70.26 -45.95 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 15.6 mtm -49.22 -46.11 45.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.557 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 2.1 t-105 -61.67 -40.01 93.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -63.49 -41.46 98.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -76.37 -34.36 58.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.4 m -52.84 129.82 31.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.6 145.14 52.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.72 -47.09 67.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -40.22 62.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.17 -22.47 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.522 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 43.7 mttt -86.86 2.56 48.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.493 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.0 tt0 -47.96 -59.45 5.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.706 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.5 Cg_endo -69.74 -18.3 37.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 112' ' ' PHE . 14.7 m-85 -84.06 -28.93 27.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -92.72 -55.21 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -45.76 -40.76 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.65 -47.53 63.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.877 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.29 -11.33 2.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -81.51 -69.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -46.43 -41.85 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.6 -36.68 84.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -70.69 -27.53 64.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -66.2 -47.89 72.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -64.8 -12.31 46.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.453 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 40.8 mtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.783 0.325 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -97.1 164.61 12.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.452 ' HB2' ' CH2' ' A' ' 56' ' ' TRP . 3.5 p -42.78 -43.68 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.559 ' CE2' HG21 ' A' ' 27' ' ' VAL . 51.9 t80 -67.46 -58.0 5.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.06 -36.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 3.6 m-85 -86.78 -40.59 14.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -60.43 -28.58 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.559 HG21 ' CE2' ' A' ' 23' ' ' TYR . 62.0 t -78.88 -28.52 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -92.07 -20.1 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.1 m -84.74 -54.34 4.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.3 m -61.89 -20.42 63.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 8.9 ptm180 -86.45 -45.66 10.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 0.6 OUTLIER -66.56 -40.51 89.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.56 -41.36 85.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 37' ' ' LYS . 25.1 t60 -55.79 -60.4 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -41.81 -28.8 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -87.05 -33.24 19.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.0 mmpt? -71.72 -35.26 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.445 ' CD2' ' HB3' ' A' ' 37' ' ' LYS . 9.2 m-70 -155.52 105.07 2.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 110.856 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -44.14 2.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -53.76 -40.08 65.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -55.54 114.75 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' VAL . 5.0 t -95.97 49.71 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' SER . 2.8 p -37.87 137.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.428 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 23.2 m-20 -82.47 108.35 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 3.1 p90 -46.84 -21.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 t -86.61 -40.12 15.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 48' ' ' PHE . 8.5 pt-20 -72.99 -47.52 44.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.479 ' N ' ' CG ' ' A' ' 47' ' ' GLU . 30.8 t80 -52.53 -41.83 63.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' CYS . 16.1 t -63.5 -69.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -40.73 -25.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' SER . 11.2 tttt -82.21 -42.22 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' SER . 4.8 m -48.35 -29.42 3.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.5 t -61.85 -72.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -13.12 61.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.423 ' C ' HG23 ' A' ' 58' ' ' THR . 18.7 ttt-85 -85.31 -24.42 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.554 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 16.3 t-105 -81.66 -47.21 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -64.89 -45.5 85.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.423 HG23 ' C ' ' A' ' 55' ' ' ARG . 8.5 t -49.74 -37.4 29.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.7 mtm -52.53 161.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.5 m -103.75 155.86 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.5 -34.68 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -47.97 81.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.16 -31.61 72.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 87.8 mttt -82.02 -25.07 35.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -43.61 -65.86 1.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.435 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -51.7 -42.46 62.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 12.0 m-85 -64.2 -30.25 71.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -79.79 -36.49 37.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -72.65 -27.51 62.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.789 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.0 ptp -81.78 -27.55 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.58 -41.6 19.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -57.44 -38.01 73.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.66 -22.01 54.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.796 0.248 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 110' ' ' PHE . 25.5 p -111.36 160.38 17.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -35.31 -42.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.518 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 9.0 t80 -61.39 -46.81 88.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 107' ' ' SER . 17.3 t80 -61.32 -47.21 86.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.1 mt -54.55 -46.58 73.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 113' ' ' CYS . 1.1 t80 -67.83 -60.32 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.547 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.5 p -50.81 -30.4 14.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.2 t -83.3 -27.81 29.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.445 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -81.31 -27.11 35.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.534 ' CD2' ' HD3' ' A' ' 119' ' ' LYS . 3.1 m-85 -93.33 -31.42 14.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.613 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 6.9 ttt180 -36.0 -53.31 1.54 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.4 Cg_endo -69.77 -32.96 17.51 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.26 . . . . 0.0 112.33 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.534 ' HD3' ' CD2' ' A' ' 116' ' ' TYR . 6.3 ptmt -74.57 -23.07 58.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 121' ' ' LYS . 45.5 pt -96.14 -34.76 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.449 ' N ' HG13 ' A' ' 120' ' ' ILE . 0.0 OUTLIER -57.38 -53.91 52.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.793 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -56.43 -36.48 70.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -71.75 -44.25 64.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.457 ' CB ' HD11 ' A' ' 127' ' ' LEU . 17.0 m-70 -115.24 89.8 22.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.59 0.709 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -18.15 37.06 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.262 . . . . 0.0 112.34 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -78.06 -45.03 10.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.457 HD11 ' CB ' ' A' ' 124' ' ' HIS . 72.4 mt -56.53 130.19 44.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' ILE . 77.6 p -106.23 170.06 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.81 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' SER . 94.2 mt -35.22 -45.36 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -58.69 -61.56 7.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 134' ' ' LYS . 30.5 m-20 -65.62 -58.45 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' ASP . 93.5 t -35.3 -39.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.36 -44.18 62.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 131' ' ' ASP . 5.9 mmmm -61.16 -19.01 61.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -85.01 -25.56 27.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.3 mt -92.81 -20.49 20.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.33 -39.4 95.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -80.0 -44.01 20.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 4.5 mtt -42.14 -47.51 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.518 ' CD1' ' HB2' ' A' ' 109' ' ' PHE . 4.7 t-105 -63.91 -46.87 82.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -52.91 -34.26 54.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -102.28 31.51 3.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 45.9 m -107.73 134.67 50.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.43 140.81 46.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -51.45 -39.17 56.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -37.37 73.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -69.59 -19.51 63.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 152' ' ' GLU . 64.7 mttt -90.73 2.64 55.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.499 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.1 tt0 -48.63 -59.24 6.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.8 Cg_endo -69.76 -27.32 26.61 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -80.95 -20.54 41.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 148' ' ' LYS . 8.8 mt-10 -93.29 -54.45 3.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -54.28 -48.87 70.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -55.68 -57.02 13.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -38.66 -38.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -51.67 -64.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -41.3 -61.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 79.7 mt -45.0 -40.92 6.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -44.27 -40.55 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -50.36 -48.74 55.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -51.51 -29.5 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 55.4 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.553 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 34.2 mtp . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -71.23 166.66 21.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.3 p -43.28 -52.17 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -66.33 -57.39 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.43 -42.87 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.553 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 2.3 m-85 -77.58 -61.59 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.454 ' CE1' ' SD ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -40.74 -48.5 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.6 t -46.98 -38.8 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 6.6 tt0 -88.18 -41.66 12.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 m -47.28 -37.76 11.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.7 m -77.02 -48.62 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.448 ' N ' ' CZ ' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -55.09 -33.44 62.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.842 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -75.01 -52.34 11.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -50.96 -40.21 57.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LYS . 20.7 t60 -60.91 -69.79 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' HIS . 2.3 mptm? -36.36 -32.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -73.5 -49.51 26.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 34' ' ' HIS . 52.2 mmtt -66.56 -43.98 83.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -134.17 94.03 18.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.588 0.709 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -47.34 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.734 2.289 . . . . 0.0 112.325 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -59.84 -38.46 82.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.57 132.47 21.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 t -100.88 99.8 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -94.97 117.79 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.419 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 11.2 m-80 -63.84 151.88 41.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -76.94 -39.3 51.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 t -72.7 -40.22 66.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' A' ' 48' ' ' PHE . 9.4 pt-20 -62.14 -46.17 90.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.485 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 5.1 t80 -66.18 -32.79 74.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 t -72.37 -62.98 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -50.32 -37.11 35.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' SER . 30.1 mttp -71.69 -56.52 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' LYS . 4.8 m -36.37 -30.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' LYS . 35.8 t -65.57 -71.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.45 -22.52 65.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -80.56 -29.31 37.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.476 ' CZ2' ' HD3' ' A' ' 64' ' ' LYS . 13.5 t-105 -76.2 -40.13 52.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -66.91 -45.2 78.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.8 t -58.2 -35.33 71.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.454 ' SD ' ' CE1' ' A' ' 26' ' ' PHE . 28.1 mtp -50.43 127.87 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.5 p -65.77 165.02 13.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.41 -38.7 69.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.483 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 33.0 pttt -60.89 -38.26 85.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.483 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 6.6 mm-40 -69.08 -42.48 76.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.476 ' HD3' ' CZ2' ' A' ' 56' ' ' TRP . 79.0 mttt -72.26 -34.48 68.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -39.61 -71.57 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.441 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -43.77 -52.72 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.423 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 23.2 m-85 -52.32 -42.37 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.87 -48.15 82.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.04 -39.48 78.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.4 mtm -66.73 -55.44 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.16 -51.36 68.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 25.7 pttt -59.58 -43.84 93.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -61.81 -39.28 91.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.064 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.778 0.241 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.85 165.84 12.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.51 -45.53 3.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.54 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 19.6 t80 -58.64 -42.68 88.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' A' ' 114' ' ' SER . 25.7 t80 -68.81 -45.81 70.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.99 -37.09 78.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.585 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -74.1 -56.73 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.544 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 4.9 p -61.43 -31.2 71.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 84.5 p -69.06 -24.15 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -95.51 -21.95 17.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.575 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.2 m-85 -89.22 -36.65 15.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.627 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 15.9 ttp180 -41.34 -52.21 7.81 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.72 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.5 Cg_endo -69.81 -19.99 35.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.316 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 116' ' ' TYR . 26.7 mtmt -81.14 -46.79 14.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.445 HD11 ' CG1' ' A' ' 132' ' ' VAL . 11.6 pt -75.77 -44.11 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.166 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.468 ' CD ' ' HA ' ' A' ' 118' ' ' PRO . 17.0 ptmt -40.09 -37.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.435 ' N ' ' HG3' ' A' ' 121' ' ' LYS . . . -78.98 -49.66 6.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.532 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -55.64 -42.8 75.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -113.42 96.97 41.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.36 37.01 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -78.07 -47.86 8.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 132' ' ' VAL . 41.2 mt -48.65 116.19 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.326 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 129' ' ' ILE . 1.0 OUTLIER -89.07 166.5 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 128' ' ' SER . 34.6 mt -36.95 -48.1 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.33 -65.96 2.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 132' ' ' VAL . 0.9 OUTLIER -48.57 -59.26 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 127' ' ' LEU . 93.0 t -35.04 -56.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -55.95 -53.72 53.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 134' ' ' LYS . 0.9 OUTLIER -50.51 -30.68 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 138' ' ' GLU . 3.9 tppp? -68.26 -33.48 74.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.84 -15.64 60.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.91 -47.76 89.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 139' ' ' MET . 2.2 pm0 -78.94 -35.38 43.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.435 ' N ' ' HG2' ' A' ' 138' ' ' GLU . 2.9 mtt -46.3 -45.32 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.585 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 2.0 t-105 -68.99 -44.95 71.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -53.87 -45.96 71.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -70.31 -40.02 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 144' ' ' ALA . 98.3 m -50.55 140.0 14.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.457 ' N ' HG23 ' A' ' 143' ' ' THR . . . -84.95 150.07 25.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -49.17 -46.11 44.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -47.14 -52.4 15.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.54 -24.15 44.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 140' ' ' TRP . 53.7 mttt -91.12 18.33 6.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.536 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.9 tt0 -67.34 -57.55 10.41 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.77 -33.33 16.75 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.373 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -68.17 -38.42 82.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 153' ' ' LYS . 58.3 mt-10 -78.54 -63.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 152' ' ' GLU . 43.9 mmtt -37.81 -58.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -50.87 -55.98 14.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.68 -45.41 58.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -45.69 -52.94 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -48.63 -57.8 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 159' ' ' LYS . 16.0 mt -47.19 -52.31 16.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 158' ' ' LEU . 18.8 ttpp -37.71 -54.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -38.46 -58.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -49.04 -46.28 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 4.9 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.926 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.497 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 23.5 mtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.773 0.321 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 m -89.7 177.23 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -47.52 -55.42 9.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.434 ' CE2' HG22 ' A' ' 27' ' ' VAL . 48.2 t80 -60.56 -62.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 23' ' ' TYR . . . -35.44 -42.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.102 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 5.7 m-85 -77.97 -60.93 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.495 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -41.57 -49.7 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.434 HG22 ' CE2' ' A' ' 23' ' ' TYR . 81.5 t -47.08 -36.97 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.164 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.61 -31.51 16.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.9 m -58.97 -22.49 60.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.1 m -93.09 -34.58 13.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 2.5 ptp180 -67.2 -38.41 85.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 45.6 mt-10 -69.89 -44.69 69.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -58.14 -41.04 82.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.448 ' CE1' ' HB1' ' A' ' 41' ' ' ALA . 10.1 t60 -62.56 -60.66 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -42.27 -28.02 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -81.74 -41.04 21.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.2 mmpt? -66.68 -39.33 88.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -153.84 105.99 2.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.693 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -53.87 -42.18 68.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.834 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.448 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -38.06 102.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -81.4 49.17 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -42.98 145.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' HB2' ' CG ' ' A' ' 47' ' ' GLU . 6.6 m-80 -82.89 103.59 12.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.479 ' CG ' ' N ' ' A' ' 46' ' ' SER . 8.0 p90 -48.83 -44.75 39.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 80.6 p -58.05 -39.8 79.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.407 ' CG ' ' HB2' ' A' ' 44' ' ' ASN . 21.3 mm-40 -73.76 -39.88 63.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -58.42 -17.12 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 t -84.54 -63.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -27.94 35.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -73.1 -55.69 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.2 m -41.1 -32.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -60.03 -70.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.19 -17.93 65.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -82.82 -27.55 30.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.499 ' CE2' ' HE2' ' A' ' 64' ' ' LYS . 9.8 t-105 -79.09 -45.95 19.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -64.59 -45.58 86.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.7 t -55.46 -43.0 75.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.3 mtm -41.96 130.65 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.462 ' HB3' ' CD ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -60.33 170.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.837 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.81 -53.31 59.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.546 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -52.92 -32.85 47.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.546 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 3.7 mm-40 -71.19 -32.42 68.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.499 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 72.8 mttt -81.68 -39.24 24.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -38.02 -69.58 0.33 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -43.15 -51.44 5.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.495 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 13.8 m-85 -55.62 -40.96 72.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -59.27 -34.43 72.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -75.23 -40.32 59.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.5 mtm -64.25 -49.81 70.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.56 -52.63 64.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -34.04 73.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.72 82.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.448 ' OD1' ' C ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.802 0.251 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.3 p -102.28 166.52 10.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.52 -40.9 39.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.47 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 10.8 t80 -59.69 -45.51 91.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.91 -47.11 87.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 66.7 mt -61.05 -40.76 94.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.633 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -68.26 -55.72 11.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.534 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.4 p -63.33 -30.86 71.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -69.41 -22.76 63.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -99.22 -15.53 18.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.562 ' CE2' ' HE2' ' A' ' 139' ' ' MET . 5.6 m-85 -95.1 -36.41 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.568 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 2.6 ttm180 -46.16 -55.86 12.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.4 Cg_endo -69.77 -4.62 14.4 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 120' ' ' ILE . 5.0 ttmm -98.08 -58.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.46 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 22.7 pt -62.4 -36.02 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.586 ' HZ1' ' N ' ' A' ' 122' ' ' GLY . 0.0 OUTLIER -56.89 -53.45 57.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.808 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.586 ' N ' ' HZ1' ' A' ' 121' ' ' LYS . . . -60.12 -48.65 85.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -61.27 -41.49 97.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.854 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -115.95 94.76 42.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.708 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -29.81 23.14 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.234 . . . . 0.0 112.309 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -56.05 -50.56 60.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 38.9 mt -51.6 -174.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 129' ' ' ILE . 8.1 t -165.5 169.36 15.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 128' ' ' SER . 53.9 mt -34.32 -41.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.29 -62.49 3.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 132' ' ' VAL . 0.8 OUTLIER -60.06 -59.36 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.843 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 131' ' ' ASP . 96.7 t -34.61 -54.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.52 -59.77 3.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.054 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -35.14 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -61.38 -39.65 91.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 113' ' ' CYS . 25.9 mt -82.47 -24.32 34.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.59 -41.26 99.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 139' ' ' MET . 6.8 pt-20 -85.76 -35.43 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.562 ' HE2' ' CE2' ' A' ' 116' ' ' TYR . 52.7 mtp -52.11 -58.72 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.633 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 8.6 t-105 -52.93 -46.03 67.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -52.84 -41.77 64.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -97.6 40.49 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.429 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 26.2 m -114.43 138.76 50.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.4 161.83 25.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.73 84.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.65 -51.88 58.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.429 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 29.7 t0 -57.66 -19.14 24.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.479 ' NZ ' ' CE2' ' A' ' 140' ' ' TRP . 53.7 mttm -98.87 15.93 23.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.523 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.0 tt0 -64.0 -58.15 15.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.565 0.697 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.78 -37.2 9.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.54 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 47.1 m-85 -65.7 -38.61 89.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -77.88 -64.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -38.67 -57.76 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -52.1 -53.45 42.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -44.61 -47.44 10.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -47.99 -45.78 32.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -60.97 -47.81 84.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 17.8 mt -49.57 -44.25 46.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -42.92 -55.87 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.77 -46.86 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -58.17 -32.59 68.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m 40.38 41.99 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 p -46.95 101.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.75 -82.62 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -74.38 172.52 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.882 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -172.3 137.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.62 -170.42 15.91 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -58.51 117.21 4.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.93 -94.89 0.1 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -164.99 136.84 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.58 -140.75 5.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -127.98 159.53 66.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -32.11 19.02 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.69 2.26 . . . . 0.0 112.358 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.95 -61.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -74.11 119.82 78.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.698 . . . . 0.0 110.914 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' CE2' ' A' ' 78' ' ' TYR . 53.6 Cg_endo -69.79 92.36 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -93.42 149.97 20.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 152.27 41.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.492 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 23.6 mtmt -104.85 115.38 30.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 42.0 mtp -111.79 148.54 33.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.6 p -95.33 -174.8 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 p -51.1 -55.66 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.432 ' CE2' HG22 ' A' ' 27' ' ' VAL . 43.8 t80 -59.19 -63.42 1.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.956 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -38.0 -33.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 5.3 m-85 -87.46 -39.36 15.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -61.72 -46.81 88.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.432 HG22 ' CE2' ' A' ' 23' ' ' TYR . 58.3 t -53.86 -32.62 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -92.34 -14.16 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.5 m -79.61 -24.95 41.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.1 m -88.63 -39.12 14.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -65.31 -41.49 93.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.83 -42.53 90.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.6 -31.51 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LYS . 16.7 t60 -63.5 -55.5 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -39.4 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' HIS . 13.2 mmtp -81.95 -41.37 20.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' HIS . 23.9 mtmt -71.63 -44.73 63.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 42.5 m-70 -134.62 94.81 16.55 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.58 0.705 . . . . 0.0 110.816 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -50.77 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.303 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -90.62 31.72 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.38 138.24 33.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.2 m -89.07 52.27 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 p -73.75 138.24 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -97.06 149.78 21.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -69.5 -43.2 73.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -65.35 -52.49 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -56.53 -34.47 67.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -77.32 -19.34 56.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.9 t -76.59 -67.75 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.797 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -47.47 -30.35 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -68.47 -53.04 26.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.7 m -49.7 -33.57 16.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -60.83 -71.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.432 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 11.9 pt-20 -63.99 -21.45 66.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.1 ttm-85 -78.79 -27.32 44.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.496 ' CE2' ' HE2' ' A' ' 64' ' ' LYS . 18.2 t-105 -79.04 -39.44 33.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.432 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 12.3 ptmm? -68.39 -48.3 65.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.7 t -55.25 -40.99 71.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.5 mtm -44.95 125.23 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.3 m -61.67 155.72 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.61 -46.94 10.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -52.84 -44.84 67.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.26 -41.98 97.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.496 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 68.0 mttt -68.44 -36.01 78.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -38.81 -70.5 0.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -46.21 -48.23 17.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -58.89 -27.77 65.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.66 -45.22 17.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -64.99 -35.11 80.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.9 ptp -75.31 -31.45 60.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.17 -46.22 61.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 20.9 pttt -60.29 -35.99 76.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -57.1 -30.84 64.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.07 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.0 -42.39 57.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -52.63 -16.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.98 -51.64 4.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.061 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -63.02 -20.98 65.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.492 ' CE2' ' HG3' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -75.73 -34.69 60.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -61.56 -29.99 70.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -46.37 -35.02 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.436 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . 5.1 mm-40 -67.91 -53.29 27.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.8 mmt -44.33 -37.15 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 84' ' ' THR . 6.5 tmtt? -54.34 -48.91 70.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.444 ' N ' ' HD3' ' A' ' 83' ' ' LYS . 81.9 p -69.72 -20.73 63.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -95.15 140.58 29.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.2 mt -124.23 98.42 38.63 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 111.179 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 170.05 17.45 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -174.97 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -93.9 128.15 40.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.04 49.48 0.36 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -88.0 134.31 33.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.967 0.413 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.0 p -104.61 110.92 23.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.158 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.444 ' N ' ' HD3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER 39.1 44.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 96' ' ' PHE . 20.3 mmtt -102.75 -179.55 4.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' LYS . 3.2 mptp? 35.34 31.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 94' ' ' LYS . 42.6 t80 -95.98 166.98 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -80.91 144.32 32.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -147.59 132.75 9.1 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -29.84 23.07 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.688 2.258 . . . . 0.0 112.303 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -70.79 -49.72 43.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.26 154.89 63.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 135.69 31.12 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -62.82 138.38 58.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.954 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -87.3 138.35 32.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 165.13 31.99 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.525 ' HB3' ' CD2' ' A' ' 110' ' ' PHE . 53.7 Cg_endo -69.72 163.99 36.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.9 m -119.98 173.3 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.99 -50.0 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.546 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 10.0 t80 -57.4 -43.66 83.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.525 ' CD2' ' HB3' ' A' ' 106' ' ' PRO . 45.1 t80 -66.92 -38.31 85.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.9 mt -67.71 -35.66 79.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.671 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 1.5 t80 -75.28 -55.72 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.7 p -60.54 -30.35 69.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 25.7 t -74.95 -38.8 61.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -78.97 -16.72 56.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -98.07 -25.17 15.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.619 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 16.7 ttp180 -52.28 -52.03 66.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.3 Cg_endo -69.76 -7.13 20.27 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -94.88 -51.5 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 25.3 pt -76.87 -35.45 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -54.8 -43.87 73.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -70.02 -39.06 74.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.494 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.84 -35.13 74.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -119.42 92.72 46.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.27 6.74 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -47.27 -45.63 21.46 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 38.0 mt -56.94 178.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 129' ' ' ILE . 59.2 m -144.87 155.87 43.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' SER . 40.9 mt -34.16 -44.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.28 -64.58 3.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 132' ' ' VAL . 4.6 m-20 -54.82 -58.85 5.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 131' ' ' ASP . 91.3 t -34.61 -52.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -64.59 -48.7 73.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -56.26 -21.98 27.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -79.53 -30.44 41.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.6 mt -76.93 -19.33 57.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -54.67 -35.76 58.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -89.7 -37.06 14.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 92.0 mtp -51.08 -44.6 61.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.671 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 16.4 t-105 -64.26 -49.19 72.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -49.97 -42.04 47.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -72.63 -40.24 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 144' ' ' ALA . 94.9 m -42.61 138.35 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.423 ' N ' HG21 ' A' ' 143' ' ' THR . . . -76.95 146.44 37.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -49.54 -47.18 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.67 -45.88 58.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.54 -21.42 60.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 140' ' ' TRP . 77.2 mttt -91.52 7.61 40.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.507 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 1.6 tt0 -54.0 -58.89 11.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.75 -44.51 2.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.719 2.28 . . . . 0.0 112.364 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -57.97 -26.9 62.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -90.88 -62.25 1.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -40.82 -53.06 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -54.82 -56.67 16.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -44.98 -49.32 11.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -41.35 -53.04 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -50.69 -51.08 52.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 82.2 mt -53.54 -50.08 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -38.99 -47.81 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -41.25 -55.74 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -47.2 -43.93 21.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -68.55 -52.9 26.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -53.36 -27.82 25.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -79.09 -42.22 26.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -68.15 -55.38 12.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 168' ' ' ALA . 7.5 tt -52.87 -38.29 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -41.54 -24.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 166' ' ' ILE . . . -90.96 -47.06 7.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -42.88 -51.65 5.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 170' ' ' ARG . 4.0 ptp180 -77.38 -47.51 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 58.44 43.74 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -88.01 94.05 9.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.558 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -87.19 172.14 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.7 p -88.21 106.75 18.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.44 114.27 1.43 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p -38.72 149.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.1 p -79.49 -19.23 50.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 125.58 -153.23 18.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.558 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -35.48 143.85 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.1 -128.38 1.1 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -94.02 134.31 36.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.354 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.17 -41.6 2.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -42.15 136.3 2.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.64 34.49 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' LYS . 21.9 mtpp -49.54 -47.61 48.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' LYS . 14.1 ttpt -34.51 121.62 0.55 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.556 0.693 . . . . 0.0 110.862 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.491 ' CG ' ' SD ' ' A' ' 82' ' ' MET . 54.4 Cg_endo -69.72 124.55 11.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -90.73 135.57 33.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -173.07 -73.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.483 ' HE3' ' CE1' ' A' ' 78' ' ' TYR . 8.0 pttp -54.72 164.9 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.298 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.578 ' HE2' ' CD1' ' A' ' 25' ' ' PHE . 19.1 mtm -160.13 164.41 32.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.0 m -81.72 172.6 13.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.4 m -48.65 -58.57 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -60.67 -56.98 14.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.18 -40.96 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CD1' ' HE2' ' A' ' 20' ' ' MET . 4.9 m-85 -77.08 -57.05 4.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.3 OUTLIER -46.5 -31.17 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.5 t -66.08 -35.76 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -92.34 -24.79 18.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.1 m -65.93 -48.04 72.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.3 m -67.84 -52.42 37.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -51.98 -41.03 61.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.37 -55.79 10.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.42 -29.82 17.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 37' ' ' LYS . 70.2 t60 -64.22 -66.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 34' ' ' HIS . 1.7 mptp? -34.73 -34.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' HIS . 3.8 mmmm -75.94 -47.78 23.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 34' ' ' HIS . 21.9 mtmm -63.7 -42.96 97.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -134.57 94.49 17.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.713 . . . . 0.0 110.839 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.285 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.78 -40.42 79.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.57 117.44 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 m -102.93 83.49 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.7 p -73.69 136.1 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -74.66 157.78 34.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -74.52 -45.47 45.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.1 t -61.55 -46.62 89.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -60.37 -39.7 88.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 31' ' ' ARG . 8.6 t80 -67.39 -36.08 80.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.1 t -65.01 -64.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -46.77 -30.89 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -76.57 -53.53 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.0 m -44.27 -30.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.0 t -60.13 -71.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -70.44 -13.96 62.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -86.34 -22.62 26.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 12.8 t-105 -82.46 -46.79 13.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -64.42 -42.89 95.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.2 t -57.16 -46.43 82.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.1 mtm -39.04 135.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 t -66.92 162.87 20.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.75 -44.68 58.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -54.68 -52.05 63.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.08 -48.02 71.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.506 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 84.9 mttt -64.96 -38.35 90.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -36.93 -74.6 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -42.73 -44.96 4.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.433 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 29.7 m-85 -61.14 -36.89 80.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.45 -49.52 63.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -63.79 -62.52 1.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.444 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 18.8 ptp -48.33 -42.51 31.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' N ' ' HG3' ' A' ' 70' ' ' MET . . . -57.35 -45.07 84.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . 5.9 mtpm? -67.97 -60.88 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.13 -37.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.93 -40.73 98.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' LYS . 5.9 mtmp? -51.78 -36.01 45.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.59 -59.57 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 3.3 ppt_? -54.67 -24.27 21.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.805 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.483 ' CE1' ' HE3' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -70.65 -35.73 73.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -46.92 -43.8 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 40.3 mtp180 -38.94 -47.29 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -52.89 -44.16 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.491 ' SD ' ' CG ' ' A' ' 16' ' ' PRO . 59.8 mmm -49.14 -20.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -50.19 -33.63 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 t -92.0 -25.97 18.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.465 ' CG ' ' HD3' ' A' ' 16' ' ' PRO . 46.2 t80 -83.37 140.36 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.9 mt -127.03 98.48 30.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 167.53 24.12 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.735 2.29 . . . . 0.0 112.374 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 176.19 7.12 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.685 2.257 . . . . 0.0 112.4 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -90.93 91.38 8.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -128.23 -151.53 7.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.68 45.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.931 0.396 . . . . 0.0 110.896 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.4 t -106.43 159.88 15.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -94.36 121.36 35.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -94.32 145.99 24.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -149.5 119.76 7.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -81.06 131.9 35.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -113.07 172.68 6.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -121.79 80.89 41.15 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.653 0.739 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -32.77 18.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -62.76 -46.84 86.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.59 143.22 90.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 174.88 8.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 154.72 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -81.55 135.96 49.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.0 19.98 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 164.61 33.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' ALA . 19.4 m -116.2 170.3 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -36.99 -56.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.519 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 18.7 t80 -50.22 -66.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -45.29 -44.45 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.6 mt -55.65 -53.36 57.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.556 ' HB2' ' CE2' ' A' ' 151' ' ' TYR . 1.3 t80 -61.92 -59.91 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.484 ' N ' ' CD2' ' A' ' 112' ' ' PHE . 1.2 p -51.43 -36.42 43.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.0 t -71.59 -25.93 62.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.445 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.1 OUTLIER -86.24 -20.17 28.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.86 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -99.98 -23.12 15.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.628 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 8.3 ttp180 -49.81 -51.91 56.32 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 110.812 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.4 Cg_endo -69.76 -12.94 33.91 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.68 2.253 . . . . 0.0 112.294 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -90.63 -39.75 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 121' ' ' LYS . 13.9 pt -87.41 -47.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.452 ' N ' HG13 ' A' ' 120' ' ' ILE . 0.2 OUTLIER -48.05 -46.5 33.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -63.62 -38.45 96.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -68.64 -39.87 80.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.423 ' CG ' HD12 ' A' ' 127' ' ' LEU . 72.5 m-70 -110.4 92.92 14.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -2.29 9.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -96.25 -37.51 4.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.423 HD12 ' CG ' ' A' ' 124' ' ' HIS . 20.3 mt -60.23 126.75 28.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 129' ' ' ILE . 5.2 t -103.8 167.28 9.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 128' ' ' SER . 62.2 mt -34.32 -45.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.93 -65.86 2.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.13 -57.41 11.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.417 ' CG2' ' HB3' ' A' ' 127' ' ' LEU . 75.6 t -39.29 -41.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.61 -52.85 63.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.71 -30.94 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -67.25 -30.28 70.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.0 mt -83.69 -41.64 17.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -48.49 -47.66 28.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -71.53 -47.51 54.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 7.9 mtm -48.01 -45.32 31.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.519 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 2.0 t-105 -65.57 -39.97 92.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -66.72 -25.33 66.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -107.93 36.45 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 12.8 m -119.22 129.48 54.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.28 142.2 58.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.95 -27.6 19.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.36 -48.03 81.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -10.76 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 149' ' ' GLN . 58.1 mttt -100.2 -23.8 14.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.503 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.7 tt0 -32.15 -58.81 0.4 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.71 -44.91 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 10.5 m-85 -53.15 -35.7 60.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -87.0 -63.96 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.493 ' CD ' ' HG3' ' A' ' 149' ' ' GLN . 4.8 mtpm? -43.96 -40.22 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -70.72 -49.56 45.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.33 -40.05 47.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -51.29 -44.23 61.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -58.64 -51.22 70.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.5 mt -47.84 -44.39 29.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.98 -38.91 39.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -50.13 -41.82 49.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -64.08 -21.63 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -85.63 -51.47 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -53.04 -38.0 62.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -40.77 68.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -65.24 -48.66 72.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 7.1 tt -67.98 -23.68 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -58.76 -37.43 76.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -84.38 -33.96 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -46.49 -57.84 4.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -66.75 -40.7 88.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -161.66 106.63 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -41.87 131.63 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.936 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -48.68 163.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -85.48 96.73 9.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.59 -78.11 0.55 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -169.8 151.85 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -132.14 107.25 8.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.73 168.96 24.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.9 mmt -63.71 -48.65 76.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.72 81.26 0.91 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -101.79 -60.55 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.47 87.36 0.53 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -127.69 149.11 69.47 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.627 0.727 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -1.37 8.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -86.89 -48.11 8.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -78.07 119.17 76.32 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.575 0.702 . . . . 0.0 110.929 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 109.84 2.41 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -98.89 42.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.99 -56.83 21.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 9.4 mtmp? -43.99 113.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.683 ' CE ' ' CE1' ' A' ' 25' ' ' PHE . 6.2 mtm -118.14 155.42 30.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -84.93 165.62 17.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.9 p -47.88 -40.0 20.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -69.24 -54.81 12.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.49 -35.75 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.07 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.683 ' CE1' ' CE ' ' A' ' 20' ' ' MET . 5.8 m-85 -85.04 -43.71 13.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -56.38 -25.24 48.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.2 t -82.3 -34.28 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -70.31 -33.52 71.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.69 -33.28 53.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 m -77.19 -34.7 56.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.478 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 7.5 ptp180 -68.61 -36.03 78.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 4.2 pt-20 -75.44 -49.53 18.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 40.0 mm-40 -44.9 -36.33 3.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -67.59 -60.51 2.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -42.91 -24.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -78.41 -46.97 18.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -65.94 -44.86 83.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -129.45 94.32 33.08 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.832 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -44.13 2.3 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.79 -36.84 83.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.93 125.75 27.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.0 t -111.12 103.54 11.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.7 p -83.21 142.47 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -78.16 168.98 19.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -81.17 -54.79 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.7 m -57.3 -44.47 84.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -64.63 -35.7 81.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 31' ' ' ARG . 18.1 t80 -80.78 -26.51 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.5 t -71.62 -45.5 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -60.49 -27.0 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -77.52 -58.7 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.6 m -50.36 -27.12 5.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.2 m -65.64 -72.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -63.67 -15.72 59.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -87.76 -23.12 24.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.494 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 18.0 t-105 -82.74 -39.82 21.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -71.85 -33.73 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 t -75.76 -7.38 54.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.448 ' HE2' ' CE3' ' A' ' 56' ' ' TRP . 8.0 mtp -79.18 126.64 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.8 m -63.19 156.49 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.19 -27.05 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -66.78 -52.53 43.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -57.84 -31.38 66.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.462 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 59.9 mttt -84.87 -31.47 23.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -41.98 -58.17 3.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.509 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -52.71 -51.8 58.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.325 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 41.0 m-85 -55.09 -41.72 71.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.38 -42.96 78.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -65.46 -49.91 67.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.8 mtm -59.63 -60.07 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -42.72 -46.17 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -58.24 -49.35 77.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.48 -37.98 18.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.35 -31.36 71.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -60.81 -15.97 35.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -98.79 -53.36 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -61.22 -20.23 62.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.513 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 10.7 t80 -71.02 -41.4 70.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -42.69 -36.7 1.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -63.42 -52.88 59.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -51.31 -26.21 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 35.9 tpp -79.4 -29.5 42.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -54.31 -24.09 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 48.5 p -92.99 -19.77 21.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -68.12 129.52 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.6 mt -123.1 101.82 38.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.586 0.708 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 154.96 67.33 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.695 2.264 . . . . 0.0 112.364 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 168.89 20.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -70.75 96.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -140.07 -77.97 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.39 159.93 28.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.976 0.417 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.9 m -123.84 128.09 49.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -159.69 162.33 35.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -99.06 145.84 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -91.6 176.5 6.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -163.24 135.88 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -148.81 134.19 18.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -124.05 86.59 53.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.576 0.703 . . . . 0.0 110.874 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -43.79 2.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.326 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -45.8 -44.57 14.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -41.28 155.89 0.21 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.576 0.703 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 164.25 35.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.495 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 11.4 mmmm -93.94 166.53 12.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -90.4 143.11 28.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.548 0.689 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 164.79 33.23 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -178.97 2.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.1 p -125.98 168.08 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.41 -45.02 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.595 ' CZ ' ' SG ' ' A' ' 113' ' ' CYS . 11.6 t80 -59.58 -62.83 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -44.84 -40.12 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.03 -66.14 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.587 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -49.82 -50.09 46.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.595 ' SG ' ' CZ ' ' A' ' 109' ' ' PHE . 58.5 m -56.03 -52.61 63.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.2 t -67.1 -8.01 27.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -102.07 -26.29 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -98.69 -18.83 17.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.633 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 10.3 ttp180 -53.98 -52.11 71.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.607 0.718 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.74 -14.74 36.57 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.733 2.289 . . . . 0.0 112.358 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -87.63 -38.47 15.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.6 pt -85.91 -37.44 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.419 ' CD ' ' HA ' ' A' ' 118' ' ' PRO . 15.9 ptmt -44.5 -32.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -85.09 -27.86 32.67 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -73.97 -50.62 19.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -111.9 89.24 11.13 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.539 0.685 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -39.34 6.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.325 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -49.32 -40.75 30.75 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.08 -175.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 129' ' ' ILE . 1.4 t -160.05 160.69 33.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 128' ' ' SER . 75.4 mt -35.61 -36.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.61 -53.4 20.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.478 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' VAL . 10.3 m-20 -71.15 -56.82 5.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' ASP . 18.8 t -37.32 -54.82 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -45.81 -48.22 15.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -60.95 -27.58 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -72.91 -30.58 64.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.3 mt -77.89 -19.74 54.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.28 -62.4 4.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.4 pm0 -64.99 -39.08 92.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 31.0 mmm -48.82 -30.7 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.587 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 4.9 t-105 -79.74 -41.23 27.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -62.98 -33.63 75.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -80.5 -39.53 27.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 22.9 m -45.13 140.79 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.12 151.11 31.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.83 -38.27 75.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.07 -33.58 70.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.54 -17.38 60.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -95.62 11.22 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.496 ' HG3' ' CD ' ' A' ' 153' ' ' LYS . 5.6 tt0 -55.6 -59.49 11.17 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.2 Cg_endo -69.72 -36.66 10.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.736 2.291 . . . . 0.0 112.375 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.485 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 58.3 m-85 -64.04 -42.82 96.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -79.03 -45.47 20.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.496 ' CD ' ' HG3' ' A' ' 149' ' ' GLN . 5.4 mtpm? -61.05 -51.3 69.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -57.62 -53.44 58.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -47.38 -35.7 8.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.12 68.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -66.77 -52.63 41.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.1 mt -45.42 -50.26 12.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -41.47 -37.41 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -64.43 -50.4 67.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -54.2 -21.31 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.495 ' CD1' ' O ' ' A' ' 103' ' ' LYS . 56.4 t80 -87.64 -54.92 4.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -52.49 -31.43 35.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 165' ' ' ASP . 0.0 OUTLIER -77.63 -44.15 29.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . 0.447 ' N ' ' HD3' ' A' ' 164' ' ' LYS . 42.5 m-20 -64.67 -39.35 93.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 7.5 tt -77.58 -43.69 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -50.48 -28.5 8.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -97.13 -23.17 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -55.88 -49.07 74.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 10.0 ptt85 -82.65 -31.59 28.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -122.11 96.1 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 47.42 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.514 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -137.58 155.43 49.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.846 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -97.8 128.81 44.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.74 140.23 34.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p -77.71 81.38 4.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.847 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -74.22 169.5 17.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.87 94.7 0.23 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -154.51 144.04 21.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.6 143.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.76 136.93 38.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.79 -55.08 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -107.95 149.55 39.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HA ' ' NH2' ' A' ' 17' ' ' ARG . 53.7 Cg_endo -69.79 -8.76 24.43 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -60.18 -51.35 69.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -71.62 118.74 69.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.571 0.701 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 129.88 18.37 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.409 ' NH2' ' HA ' ' A' ' 13' ' ' PRO . 1.9 mpt_? -97.7 176.3 5.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' LYS . . . 156.51 -52.77 0.42 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' GLY . 9.4 mtmp? -37.1 141.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.428 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 26.1 mtp -132.31 146.07 51.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.1 m -87.87 174.44 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.7 m -43.89 -58.8 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.611 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 35.3 t80 -57.86 -63.1 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' TYR . . . -33.82 -38.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.066 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.428 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 5.5 m-85 -83.0 -54.22 5.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.537 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -47.04 -43.71 20.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.611 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 53.4 t -58.41 -28.2 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.46 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 6.1 tt0 -92.33 -28.48 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.3 m -68.69 -38.9 80.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.466 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 77.1 m -76.49 -51.74 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 28' ' ' GLN . 4.7 ptp180 -47.77 -41.04 22.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.39 -38.09 89.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -56.43 -39.4 73.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -68.35 -57.93 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -44.29 -29.04 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -78.67 -45.81 20.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -64.97 -43.73 91.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -134.55 94.4 17.24 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.547 0.689 . . . . 0.0 110.89 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -35.73 12.08 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.74 2.293 . . . . 0.0 112.344 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -71.04 -37.19 72.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.34 119.08 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -90.59 99.36 12.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.406 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 11.8 p -101.45 135.95 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -83.72 169.46 15.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -90.96 -45.43 8.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -67.65 -23.1 65.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.567 ' CD ' ' N ' ' A' ' 48' ' ' PHE . 1.7 pp20? -83.37 -45.45 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.567 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 23.0 t80 -63.3 -20.32 65.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.0 t -65.76 -47.74 74.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -57.55 -20.73 33.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -86.56 -50.01 7.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.2 m -55.63 -35.17 65.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -71.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.472 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 14.4 pt-20 -59.05 -19.62 45.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -81.46 -23.95 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.496 ' CE2' ' HE2' ' A' ' 64' ' ' LYS . 70.4 t-105 -86.55 -30.85 21.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.472 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 6.2 ptmm? -76.6 -29.76 56.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.0 t -76.24 -35.32 59.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.6 mtm -61.9 146.34 50.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -103.81 179.08 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.55 -25.84 11.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.168 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -60.99 -42.17 97.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -87.85 -53.11 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.496 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 68.9 mttt -52.13 -36.51 51.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.96 -73.62 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -46.92 -37.62 9.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.328 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 25.3 m-85 -68.01 -30.44 69.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -72.32 -50.5 26.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -62.35 -51.7 66.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 ptp -54.87 -37.02 65.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.82 -34.53 78.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -73.88 -30.43 62.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.52 91.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -25.39 54.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -28.86 28.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -88.59 -60.12 2.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -49.36 -25.65 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -77.32 -44.81 28.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -48.85 -34.38 12.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.402 ' NH1' ' HB3' ' A' ' 103' ' ' LYS . 26.0 mmt85 -42.39 -54.59 3.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -57.78 -54.41 47.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.473 ' O ' ' N ' ' A' ' 85' ' ' TYR . 55.5 tpp -49.8 -32.98 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -41.54 -43.36 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.7 p -70.42 -30.96 67.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.473 ' N ' ' O ' ' A' ' 82' ' ' MET . 6.8 t80 -66.24 143.15 57.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 21.8 mt -131.77 114.08 15.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 111.17 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 168.36 21.74 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.729 2.286 . . . . 0.0 112.332 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -174.6 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.688 2.258 . . . . 0.0 112.393 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -41.11 -28.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.21 124.68 31.46 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -112.45 149.72 32.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 33.0 m -151.68 142.7 23.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -89.13 121.91 31.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -143.73 144.19 31.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -46.97 174.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -134.32 151.92 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 12.7 tppt? -127.61 153.51 46.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 4.5 m-20 -80.89 115.6 56.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.591 0.71 . . . . 0.0 110.837 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -34.99 13.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.331 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 101' ' ' ALA . 1.6 m-20 -43.97 -62.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 100' ' ' ASN . . . -36.01 141.82 0.32 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.615 0.722 . . . . 0.0 111.076 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 164.16 35.56 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.65 2.233 . . . . 0.0 112.368 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.426 ' HE3' ' C ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -132.39 174.9 9.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.491 ' HD3' ' N ' ' A' ' 104' ' ' ARG . 1.4 mpp_? -73.94 142.65 79.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 169.89 17.88 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 153.92 68.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.774 2.316 . . . . 0.0 112.329 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.1 p -94.9 159.21 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.69 -32.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.462 ' HB2' ' NE1' ' A' ' 140' ' ' TRP . 16.1 t80 -67.21 -49.17 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -59.47 -22.12 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 88.8 mt -82.15 -48.57 11.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.606 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -68.82 -48.65 63.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.421 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.7 p -61.78 -29.34 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.8 t -82.61 -12.99 57.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -97.11 -35.92 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.437 ' C ' ' HD2' ' A' ' 118' ' ' PRO . 3.0 m-85 -83.73 -25.44 30.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.635 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 3.2 ttm180 -40.0 -52.11 5.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.589 0.709 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.9 Cg_endo -69.74 -36.12 11.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.418 ' HD3' ' CD2' ' A' ' 116' ' ' TYR . 8.1 ptmt -72.05 -23.64 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 121' ' ' LYS . 36.4 pt -95.89 -37.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.448 ' N ' HG13 ' A' ' 120' ' ' ILE . 1.1 tmmt? -53.02 -43.92 66.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -71.91 -47.67 30.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.447 ' OE1' ' CA ' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -55.04 -42.74 73.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 86.2 m-70 -116.34 93.14 38.75 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.578 0.704 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.3 Cg_endo -69.79 -21.54 33.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.316 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.42 -43.02 21.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.421 HD23 ' CB ' ' A' ' 131' ' ' ASP . 92.1 mt -51.34 126.05 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 129' ' ' ILE . 98.1 p -98.22 163.3 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' SER . 30.6 mt -35.16 -36.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -74.4 -57.69 4.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 0.6 OUTLIER -63.07 -53.68 49.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 131' ' ' ASP . 92.9 t -34.22 -52.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.4 -47.17 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 131' ' ' ASP . 11.7 tptm -53.71 -24.04 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.27 -39.98 64.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.41 -24.56 46.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.79 -53.27 42.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.44 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.65 -47.8 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 90.7 mtp -49.4 -50.73 39.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.606 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 24.3 t-105 -59.02 -29.8 67.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -82.78 -25.52 32.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -106.62 29.15 7.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.407 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 3.8 m -114.99 133.28 56.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.4 155.23 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.99 -26.85 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.45 -40.19 90.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.407 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 5.1 t70 -69.87 -18.09 63.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -93.61 5.93 49.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.493 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.9 tt0 -51.83 -59.33 8.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.585 0.707 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.9 Cg_endo -69.74 -36.8 10.19 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 30.5 m-85 -66.17 -32.98 74.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.65 -53.82 4.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -47.43 -53.05 15.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -55.21 -53.52 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -45.67 -55.36 6.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -41.21 -56.56 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -47.94 -58.65 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 19.7 mt -46.43 -50.3 16.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -41.6 -54.43 3.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -49.29 -59.28 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -46.04 -44.91 15.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -58.95 -58.73 7.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -51.77 -33.9 37.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -73.21 -45.38 56.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -61.61 -45.77 92.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 6.7 tt -71.98 -23.7 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -61.41 -30.9 70.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -88.87 -19.62 25.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -69.05 -44.56 72.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -97.05 -44.63 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -102.5 84.83 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.049 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -47.87 121.68 4.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m 51.19 42.37 28.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 m -124.98 157.37 36.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.58 56.97 3.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -154.23 154.24 33.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.829 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -163.69 168.44 19.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.55 -135.95 4.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.5 mmt -93.03 95.4 9.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 48.55 -172.75 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -124.63 146.05 49.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.3 -94.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.559 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -149.88 110.1 3.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' LYS . 53.5 Cg_endo -69.77 -9.22 25.58 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.298 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' LYS . 40.6 mtmt -37.37 -64.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' LYS . 11.0 ttmm -34.95 130.87 0.47 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.862 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.542 ' HD3' ' CD2' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.8 123.0 9.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.307 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' HB3' ' NH1' ' A' ' 17' ' ' ARG . 8.7 mtp-105 -80.73 148.05 30.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' LYS . . . 178.84 -63.75 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 7.9 mtmp? -35.48 135.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.53 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 29.8 mtp -123.11 168.61 12.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.5 m -100.27 -174.76 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 p -59.05 -44.16 91.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -68.39 -62.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.04 -39.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.059 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 5.1 m-85 -81.69 -52.46 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.573 ' CE1' ' SD ' ' A' ' 59' ' ' MET . 0.5 OUTLIER -47.67 -28.36 2.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.2 t -75.92 -32.95 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -92.32 -13.77 29.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.5 m -82.56 -38.2 24.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.4 m -76.45 -28.49 56.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -73.67 -40.65 63.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 4.3 pt-20 -66.97 -49.4 65.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 16.4 mm-40 -52.22 -35.34 49.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -68.5 -60.39 2.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.99 -23.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -80.95 -45.34 16.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.8 -45.54 82.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -134.61 94.84 16.54 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.553 0.692 . . . . 0.0 110.838 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -43.94 2.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -61.19 -32.06 71.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.66 122.27 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.5 p -104.07 94.42 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 44' ' ' ASN . 2.0 p -83.09 155.54 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.439 ' N ' ' CG2' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -96.69 154.83 17.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -80.7 -57.22 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -44.8 -41.65 7.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -75.3 -47.98 25.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -65.33 -14.2 60.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 t -86.95 -66.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HG3' ' CE ' ' A' ' 51' ' ' LYS . 9.7 ptmt -43.84 -36.9 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.464 ' CE ' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.38 -54.76 17.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.3 m -41.56 -29.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.8 t -67.35 -71.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -63.97 -15.07 58.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -89.58 -23.72 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.565 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 21.3 t-105 -83.46 -40.19 19.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -67.97 -38.33 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 t -68.47 -24.73 64.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.573 ' SD ' ' CE1' ' A' ' 26' ' ' PHE . 15.3 mtp -61.39 120.53 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.97 157.73 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.53 -41.84 31.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 10.5 ptpp? -54.47 -40.74 68.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 30.3 mm-40 -67.71 -37.88 82.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.523 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 82.9 mttt -78.62 -24.81 45.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.23 -59.68 8.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -51.85 -50.26 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 36.9 m-85 -54.32 -38.19 65.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.96 -32.24 72.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.88 -56.36 4.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 mtm -53.87 -50.05 67.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.08 -51.34 62.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -53.3 -31.73 45.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.45 -34.48 70.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER -53.41 -17.53 2.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -58.45 -22.34 54.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.15 -54.31 3.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -59.83 -15.25 19.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -77.52 -43.76 30.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -46.52 -32.02 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -42.46 -46.17 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -65.83 -45.12 83.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' LYS . 62.3 mmm -47.99 -36.08 12.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -37.61 -53.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 70.8 p -70.65 -36.75 73.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.194 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.542 ' CD2' ' HD3' ' A' ' 16' ' ' PRO . 38.9 t80 -74.63 148.06 41.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 18.0 mt -133.47 98.44 15.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 86' ' ' ILE . 53.6 Cg_endo -69.77 167.42 24.51 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.358 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -171.29 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.703 2.268 . . . . 0.0 112.352 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -45.76 102.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -91.77 149.48 19.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -89.25 81.54 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.993 0.425 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.7 t -153.98 152.58 30.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.1 mmtt -133.43 39.08 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.4 pttm -151.93 127.6 10.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 95' ' ' LYS . 38.4 pttt -141.91 121.35 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -173.01 123.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -151.9 147.84 27.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -123.0 66.72 30.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.58 0.705 . . . . 0.0 110.868 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -41.92 3.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.24 . . . . 0.0 112.34 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -56.99 -36.88 70.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.34 126.46 68.74 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.565 0.697 . . . . 0.0 111.129 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 133.38 25.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.511 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -71.37 168.82 16.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.438 ' HG2' ' CZ ' ' A' ' 162' ' ' TYR . 50.6 mtt180 -110.21 121.33 41.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.845 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 167.02 25.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.313 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -179.13 2.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 108' ' ' ALA . 77.5 p -135.77 153.82 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -35.67 -43.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.461 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 2.0 t80 -66.94 -47.62 71.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.421 ' O ' ' CB ' ' A' ' 114' ' ' SER . 11.1 t80 -61.5 -43.11 99.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.66 -50.18 70.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.653 ' CG ' ' CE3' ' A' ' 140' ' ' TRP . 0.6 OUTLIER -62.16 -48.26 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.7 p -68.26 -32.58 72.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 42.2 t -75.62 -14.77 60.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -101.64 -26.02 13.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -91.83 -10.62 39.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.626 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 9.9 ttm180 -62.53 -51.79 70.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.634 0.73 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.83 -7.85 22.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.302 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -93.21 -36.69 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.2 pt -92.3 -40.39 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -51.84 -32.39 31.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -79.89 -38.46 19.57 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.15 -47.89 72.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -107.1 90.45 5.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -17.59 37.43 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -70.89 -47.36 39.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 36.7 mt -50.69 -178.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.7 t -152.92 172.97 15.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.0 mt -50.13 -36.53 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -69.12 -51.18 29.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 132' ' ' VAL . 9.6 m-20 -71.38 -60.43 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' ASP . 52.6 t -34.25 -49.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -50.78 -48.06 59.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 131' ' ' ASP . 0.6 OUTLIER -60.5 -32.77 71.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -69.27 -25.52 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.4 mt -79.36 -21.48 45.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.66 -62.8 5.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 13.3 pm0 -66.27 -34.76 78.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 64.9 mmm -55.18 -48.75 73.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.653 ' CE3' ' CG ' ' A' ' 112' ' ' PHE . 31.0 t-105 -66.62 -33.3 75.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -75.72 -27.74 58.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -86.61 -36.83 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 53.7 m -37.8 149.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.94 134.7 38.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.111 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -45.51 -36.65 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -61.58 -37.15 82.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.28 -15.06 62.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 149' ' ' GLN . 44.7 mttp -94.72 -22.35 18.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.509 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.5 tt0 -33.94 -58.58 0.58 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.61 0.719 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.0 Cg_endo -69.79 -44.75 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.506 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 15.3 m-85 -55.57 -23.39 26.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -93.84 -57.85 2.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -48.64 -43.52 36.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -66.5 -66.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -40.03 -44.64 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -48.87 -59.93 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -41.61 -53.53 3.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 29.7 mt -62.64 -39.11 92.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -60.04 -41.98 93.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -55.34 -49.78 71.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -54.15 -39.48 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.511 ' CD1' ' O ' ' A' ' 103' ' ' LYS . 40.4 t80 -63.76 -59.53 4.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -55.08 -32.22 61.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -69.69 -50.79 40.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.67 -48.05 78.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 3.9 tt -64.18 -34.65 70.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -46.89 -34.25 5.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.052 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -88.4 -19.32 26.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.076 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -80.5 -48.62 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.57 -23.34 17.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.818 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 172' ' ' LYS . . . -125.24 69.68 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 171' ' ' ALA . 0.0 OUTLIER -34.64 -37.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -134.45 42.44 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -144.81 164.17 31.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.36 -57.62 0.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 6' ' ' SER . 21.4 m -109.63 140.63 43.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 0.0 110.871 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.3 m -35.43 -59.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.93 90.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 mmm -61.55 -32.31 72.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.357 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.04 16.81 6.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -137.3 160.79 38.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.2 158.67 7.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -81.75 149.95 64.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.28 25.72 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -51.74 -64.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -55.74 115.96 10.88 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.572 0.701 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 137.02 34.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ptp85 -119.02 41.02 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' LYS . . . -55.25 -58.57 13.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.507 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 8.4 mtmp? -35.72 126.63 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.403 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 21.0 mtp -107.13 169.75 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -105.32 161.85 13.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -40.7 -55.76 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.552 ' CE2' HG23 ' A' ' 27' ' ' VAL . 50.6 t80 -56.52 -60.32 3.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' TYR . . . -35.49 -40.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.495 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 9.1 m-85 -82.48 -57.52 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.537 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -42.84 -31.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.552 HG23 ' CE2' ' A' ' 23' ' ' TYR . 46.6 t -81.79 -31.34 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' PHE . 3.6 pt20 -79.62 -28.45 40.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -76.22 -58.22 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 54.8 m -54.64 -45.92 73.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.525 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 19.6 ptt180 -56.68 -42.87 79.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.474 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 22.8 mt-10 -65.11 -45.33 85.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -56.42 -36.62 69.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 37' ' ' LYS . 8.6 t60 -61.39 -67.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -39.29 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 34' ' ' HIS . 24.5 mmtt -82.16 -41.62 20.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 34' ' ' HIS . 23.2 mmtp -68.45 -43.32 77.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -130.0 95.02 29.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -42.53 3.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -62.01 -40.02 94.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.65 115.01 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 t -89.94 42.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.418 ' CG1' ' NE2' ' A' ' 34' ' ' HIS . 7.2 p -51.17 136.84 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.413 ' N ' HG22 ' A' ' 43' ' ' VAL . 6.6 m-80 -81.3 154.09 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' A' ' 46' ' ' SER . 28.8 p90 -79.88 -53.04 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.556 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 3.2 m -52.5 -53.0 51.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.06 -47.63 83.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 31' ' ' ARG . 89.6 t80 -39.96 -31.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' LYS . 23.2 t -61.29 -45.1 95.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -39.06 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' SER . 80.1 mttt -87.5 -54.83 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.8 m -47.22 -32.56 4.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.2 p -61.2 -70.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -67.15 -17.63 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -84.34 -26.66 28.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 35.0 t-105 -78.3 -38.57 42.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -68.98 -39.74 79.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 t -65.73 -40.7 92.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.6 mtm -49.04 124.8 9.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -62.88 164.5 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.29 -45.41 34.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.084 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -54.11 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -47.38 -37.68 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.524 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 69.2 mttt -72.96 -36.19 67.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -43.81 -56.87 4.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -55.03 -36.14 65.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 56.0 m-85 -80.32 -21.11 42.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -85.81 -32.68 21.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.51 -33.27 36.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.0 ptp -76.86 -32.22 57.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 25' ' ' PHE . . . -71.08 -41.15 71.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 2.7 ptmm? -63.63 -33.0 74.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.478 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -53.08 -20.61 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.43 ' OD1' ' NE ' ' A' ' 77' ' ' ARG . 4.2 t0 -65.71 -9.41 27.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -63.57 -30.76 71.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.463 ' N ' ' HD2' ' A' ' 75' ' ' LYS . . . -81.97 -54.26 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.43 ' NE ' ' OD1' ' A' ' 74' ' ' ASP . 2.7 ppt_? -60.37 -29.11 68.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.507 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 10.6 t80 -59.15 -42.96 91.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 80' ' ' ARG . 33.4 mt-10 -37.89 -37.81 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 79' ' ' GLU . 21.9 mmt180 -34.98 -62.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 83' ' ' LYS . 62.9 mt-10 -70.49 -53.14 17.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.1 tpt -38.41 -27.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 81' ' ' GLU . 17.8 tttt -69.39 -49.07 58.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 81' ' ' GLU . 67.5 p -63.84 -28.26 69.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -79.68 136.83 36.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.419 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 21.8 mt -126.87 100.64 27.46 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.578 0.704 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.73 169.16 19.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 89' ' ' LYS . 54.0 Cg_endo -69.76 -179.81 3.17 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.367 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' PRO . 9.4 mmtp -36.71 99.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -143.22 -152.78 5.73 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -121.16 170.11 9.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.959 0.409 . . . . 0.0 110.847 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.65 115.26 1.64 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -68.35 -178.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 147.75 43.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -139.08 145.12 39.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -148.41 121.75 9.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -174.05 159.87 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.6 87.7 5.62 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -8.56 23.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.627 2.218 . . . . 0.0 112.386 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -116.6 48.99 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -164.25 151.11 9.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.563 0.697 . . . . 0.0 111.146 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.571 ' HD3' ' CD2' ' A' ' 169' ' ' TYR . 53.3 Cg_endo -69.76 166.65 26.87 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.668 2.246 . . . . 0.0 112.296 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 148.91 38.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -81.15 153.57 72.0 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.723 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 165.12 32.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.734 2.289 . . . . 0.0 112.305 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 178.69 4.31 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 t -120.48 168.01 11.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.91 -30.87 11.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.47 ' HB2' ' NE1' ' A' ' 140' ' ' TRP . 5.4 t80 -63.9 -53.76 45.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -54.29 -48.51 71.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.5 mt -54.86 -66.0 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.532 ' HA ' ' CE1' ' A' ' 151' ' ' TYR . 1.1 t80 -44.99 -55.01 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.451 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.8 p -60.76 -29.58 69.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.438 ' N ' ' HG ' ' A' ' 113' ' ' CYS . 22.9 t -82.0 -12.9 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -101.62 -22.25 14.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -95.82 -19.52 19.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.623 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 11.1 ttp180 -52.57 -51.89 68.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.4 Cg_endo -69.71 -3.68 12.46 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.368 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -102.15 -35.54 8.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.446 HD12 ' CG1' ' A' ' 132' ' ' VAL . 44.4 pt -92.54 -34.87 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.427 ' N ' HG13 ' A' ' 120' ' ' ILE . 1.1 tmmt? -62.63 -49.93 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -65.19 -37.92 94.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -70.99 -45.66 63.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -105.15 96.13 10.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -29.34 23.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.236 . . . . 0.0 112.346 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.25 -34.98 90.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 131' ' ' ASP . 13.7 mt -78.12 158.92 28.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 129' ' ' ILE . 39.6 m -149.64 171.77 16.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' SER . 88.2 mt -35.71 -37.49 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.92 -57.78 10.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 132' ' ' VAL . 34.4 m-20 -71.13 -59.64 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.804 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 131' ' ' ASP . 54.3 t -33.76 -50.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -42.24 -64.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -52.39 -30.48 29.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -67.56 -35.34 78.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 16.6 mt -81.28 -23.51 37.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.25 -44.35 95.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 139' ' ' MET . 7.1 pt-20 -74.75 -41.62 59.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.436 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 28.6 mtp -50.53 -61.24 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.47 ' NE1' ' HB2' ' A' ' 109' ' ' PHE . 6.4 t-105 -50.07 -34.88 23.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -76.91 -24.08 52.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -110.73 26.9 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.442 HG21 ' N ' ' A' ' 144' ' ' ALA . 24.3 m -106.41 135.61 47.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.139 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.442 ' N ' HG21 ' A' ' 143' ' ' THR . . . -68.73 135.49 51.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -46.44 -40.91 13.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -55.02 -36.13 65.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.59 -13.2 61.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -99.24 1.48 44.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.502 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.9 tt0 -50.95 -58.68 9.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.9 Cg_endo -69.76 -17.96 37.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.626 2.217 . . . . 0.0 112.349 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.532 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 38.2 m-85 -89.41 -22.0 22.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -93.43 -52.29 4.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -55.23 -47.61 75.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -57.12 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -41.69 -48.07 4.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -44.76 -40.47 6.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -65.19 -50.31 66.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 17.7 mt -47.51 -45.04 26.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.964 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -42.03 -39.59 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 164' ' ' LYS . 6.4 mm-40 -51.2 -41.45 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -60.59 -45.85 92.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -66.36 -53.0 41.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.75 -31.04 70.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 160' ' ' GLU . 31.6 mmtt -85.89 -29.09 23.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -77.15 -39.44 49.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.476 ' CD1' ' HD2' ' A' ' 102' ' ' PRO . 4.6 tt -68.11 -37.25 77.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -49.9 -46.8 52.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -89.34 -17.08 29.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.571 ' CD2' ' HD3' ' A' ' 102' ' ' PRO . 80.4 t80 -57.7 -63.47 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -72.18 -42.12 66.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -116.12 81.18 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -88.25 -46.57 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.532 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -108.0 138.86 43.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.8 m -134.52 119.58 18.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.54 138.64 11.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -95.68 -53.84 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.376 . . . . 0.0 110.853 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.7 t -44.65 113.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.02 141.56 12.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -116.28 41.8 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.91 72.59 0.57 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 11' ' ' GLY . 4.3 tppp? -78.41 155.61 29.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.423 ' N ' ' HG3' ' A' ' 10' ' ' LYS . . . 39.93 -145.55 0.33 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -93.17 142.9 25.92 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.612 0.72 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -8.01 22.51 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.248 . . . . 0.0 112.294 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -43.02 -49.37 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' H ' ' A' ' 17' ' ' ARG . 25.9 tttp -55.36 116.75 12.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.554 0.692 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.6 Cg_endo -69.78 9.37 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.637 2.225 . . . . 0.0 112.333 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 16' ' ' PRO . 23.2 ptt180 -32.75 134.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -174.79 -38.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.444 ' HE3' ' CE1' ' A' ' 78' ' ' TYR . 7.0 pttp -49.34 154.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.566 ' HE1' ' CD1' ' A' ' 25' ' ' PHE . 10.0 mtm -120.12 163.63 17.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.7 p -101.26 178.86 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.8 p -48.88 -54.04 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -62.67 -62.08 1.98 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.23 -39.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CD1' ' HE1' ' A' ' 20' ' ' MET . 8.8 m-85 -78.99 -56.43 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.551 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -45.47 -29.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.36 -35.58 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -89.01 -23.26 22.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.7 m -74.26 -40.96 62.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.551 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 90.7 m -71.75 -53.68 12.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 10.0 ptm180 -44.24 -40.87 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 11.4 mt-10 -65.78 -49.52 68.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -50.99 -36.44 39.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 37' ' ' LYS . 2.3 t-160 -60.9 -67.59 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HE3' ' N ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -36.96 -29.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 34' ' ' HIS . 2.0 mmmm -78.99 -44.74 21.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 34' ' ' HIS . 18.3 mmtp -68.7 -45.09 72.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 41' ' ' ALA . 49.0 m-70 -133.32 93.54 21.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -49.42 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.272 . . . . 0.0 112.329 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -85.6 21.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.464 ' HB3' ' CB ' ' A' ' 38' ' ' HIS . . . -87.79 120.45 29.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.3 p -71.79 85.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -105.03 142.26 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -95.53 -176.92 3.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -103.44 -48.66 3.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -64.19 -36.61 84.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.566 ' CD ' ' N ' ' A' ' 48' ' ' PHE . 2.1 pp20? -65.62 -45.67 82.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 16.2 t80 -62.05 -33.77 75.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 51' ' ' LYS . 1.6 m -78.46 -61.61 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -42.91 -23.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.3 ttmt -92.72 -41.81 9.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -47.81 -25.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.7 p -68.58 -67.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -69.25 -15.79 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' C ' HG21 ' A' ' 58' ' ' THR . 20.7 ttt85 -87.23 -23.69 24.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.542 ' CZ2' ' HD3' ' A' ' 64' ' ' LYS . 16.0 t-105 -83.59 -41.73 17.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -68.16 -33.4 74.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.416 HG21 ' C ' ' A' ' 55' ' ' ARG . 9.8 t -68.86 -29.15 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.4 mtm -59.4 123.21 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.9 m -59.38 152.46 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.96 -38.36 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -58.15 -42.0 84.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -66.63 -47.05 73.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.542 ' HD3' ' CZ2' ' A' ' 56' ' ' TRP . 77.3 mttt -63.31 -26.94 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' GLU . . . -41.34 -72.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -43.74 -43.97 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.513 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 49.3 m-85 -65.85 -30.4 71.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' GLY . 7.7 mm-40 -74.41 -40.03 62.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.13 -56.89 4.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.414 ' CG ' ' N ' ' A' ' 71' ' ' ALA . 8.4 ptp -49.24 -43.8 43.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.414 ' N ' ' CG ' ' A' ' 70' ' ' MET . . . -61.46 -44.39 97.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -51.89 -36.62 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.45 -43.91 84.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -67.75 -38.69 83.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -58.29 -30.23 66.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.46 -53.06 6.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -20.57 37.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.444 ' CE1' ' HE3' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -81.8 -39.06 24.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.828 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -51.86 -38.99 58.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -44.88 -41.63 7.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -40.47 90.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 85' ' ' TYR . 48.6 tpp -52.23 -39.34 60.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -38.24 -46.85 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 66.6 p -69.04 -36.82 78.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 82' ' ' MET . 67.1 t80 -51.67 146.56 7.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.6 mt -138.0 105.04 8.06 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 163.66 37.45 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.648 2.232 . . . . 0.0 112.373 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 176.55 6.65 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 99.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.25 -145.91 4.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -114.81 113.85 24.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.97 0.414 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.9 m -141.41 152.02 43.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -100.27 124.9 46.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -98.67 137.82 36.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -109.99 166.83 10.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -129.2 149.37 51.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -119.24 156.37 30.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -88.6 122.96 68.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -20.45 34.59 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.246 . . . . 0.0 112.337 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -65.93 -50.88 62.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.95 142.26 35.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 125.62 12.38 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.345 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.91 139.37 44.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -61.55 132.12 92.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 165.08 32.2 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 157.08 61.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 108' ' ' ALA . 15.2 m -111.4 164.85 12.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -33.73 -70.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.557 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 11.0 t80 -40.68 -42.79 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.34 -61.85 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.2 mt -42.31 -45.78 4.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.522 ' HA ' ' CE1' ' A' ' 151' ' ' TYR . 0.9 OUTLIER -65.79 -52.36 51.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.43 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.4 p -57.23 -30.47 64.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.3 t -74.68 -10.53 59.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.54 -41.05 7.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.535 ' CD2' ' HD3' ' A' ' 119' ' ' LYS . 4.2 m-85 -83.12 -44.33 15.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.531 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 8.3 ttp180 -28.24 -57.86 0.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.8 Cg_endo -69.75 -38.05 8.36 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.535 ' HD3' ' CD2' ' A' ' 116' ' ' TYR . 0.0 OUTLIER -61.89 -26.15 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.2 pt -96.13 -31.34 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.66 -50.91 67.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -61.91 -36.21 92.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -69.31 -39.97 77.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -121.63 94.15 48.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.536 0.684 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -34.44 14.65 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.17 -51.4 54.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.526 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 85.7 mt -50.27 152.99 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.9 m -125.29 166.78 15.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 36.6 mt -38.48 -35.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -69.02 -51.5 28.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 134' ' ' LYS . 0.6 OUTLIER -70.7 -61.96 1.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 131' ' ' ASP . 97.2 t -35.65 -37.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -66.76 -49.3 66.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 131' ' ' ASP . 19.2 ttmt -61.06 -29.02 69.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -67.67 -25.27 65.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.1 mt -86.82 -13.54 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.19 -47.54 79.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -70.13 -39.16 75.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 30.0 mtt -47.16 -64.96 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.564 ' CH2' ' HG2' ' A' ' 148' ' ' LYS . 4.2 t-105 -48.6 -35.19 13.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.08 -25.03 55.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -109.26 33.8 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 m -117.29 127.22 53.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.43 138.79 39.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -50.84 -34.52 28.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.15 -25.65 68.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.44 11.48 14.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.564 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 64.1 mttt -120.26 -22.97 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.635 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 11.8 tt0 -43.99 -51.4 18.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.71 -16.47 37.78 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.522 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 15.6 m-85 -90.39 -28.75 18.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -87.96 -58.49 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -44.63 -50.3 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -59.57 -52.57 64.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -43.66 -34.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.97 -54.95 34.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.451 ' O ' ' CD ' ' A' ' 161' ' ' LYS . 23.3 mmmt -50.13 -24.19 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 13.2 mt -87.89 -33.09 18.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -71.22 -43.61 66.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 161' ' ' LYS . 11.0 pt-20 -55.08 -48.74 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -56.5 -40.31 74.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -62.35 -51.42 67.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -54.11 -41.14 67.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -68.9 -47.31 66.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.38 -54.76 43.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 6.6 tt -57.76 -40.79 77.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -44.1 -40.72 5.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -80.96 -44.32 18.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -38.82 -54.91 1.57 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 25.4 ptt85 -65.72 -41.97 91.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -169.16 110.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -49.03 134.97 16.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -70.97 137.71 49.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.842 0.354 . . . . 0.0 110.884 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m -49.08 144.9 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.809 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.94 100.78 2.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 m -66.38 84.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.934 0.397 . . . . 0.0 110.844 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -156.35 172.03 19.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.82 -111.56 0.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 mtt 55.25 52.54 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.97 130.84 6.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -125.68 176.63 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 137.56 -92.88 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -114.67 141.9 27.44 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.653 0.74 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -9.16 25.43 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -80.9 -42.46 21.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -53.94 115.19 7.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 146.77 60.97 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 -130.29 39.57 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.65 -65.19 3.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.566 ' HG2' ' CE2' ' A' ' 78' ' ' TYR . 15.2 pttt -48.83 124.9 9.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.309 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 12.6 mtp -115.92 168.98 9.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 t -90.27 166.37 13.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 m -40.81 -63.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.525 ' CD1' ' CG ' ' A' ' 56' ' ' TRP . 50.3 t80 -56.47 -58.61 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.91 -39.08 1.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 3.6 m-85 -77.97 -54.47 6.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.402 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -47.65 -19.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.4 t -79.14 -34.9 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -92.44 -18.46 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.3 m -76.62 -37.56 56.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 85.5 m -72.44 -48.96 36.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 5.9 ptm180 -49.47 -43.96 45.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 4.9 mm-40 -66.56 -59.07 3.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -50.31 -32.6 17.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LYS . 29.2 t60 -61.23 -63.68 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -38.85 -27.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' HIS . 4.9 mmpt? -80.74 -42.98 20.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' HIS . 18.7 mmtp -67.79 -45.29 75.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -133.61 94.62 18.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.527 0.68 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.242 . . . . 0.0 112.372 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -85.35 32.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.4 175.23 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.0 p -132.74 77.51 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -110.97 142.59 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 45' ' ' PHE . 10.0 m-20 -107.15 123.77 48.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 44' ' ' ASN . 68.9 m-85 -36.76 -54.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -55.38 -52.72 62.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' SER . 5.9 mm-40 -55.37 -54.25 45.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 10.4 t80 -35.85 -32.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' GLU . 40.2 t -58.05 -54.08 51.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -49.63 -31.57 11.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -56.22 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.522 ' HG ' ' N ' ' A' ' 53' ' ' SER . 9.8 p -58.0 -34.22 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.522 ' N ' ' HG ' ' A' ' 52' ' ' CYS . 2.6 m -67.46 -45.85 74.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 8.3 pt-20 -81.84 -19.2 41.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -84.9 -33.54 22.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.525 ' CG ' ' CD1' ' A' ' 23' ' ' TYR . 67.3 t-105 -71.19 -31.88 68.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 17.5 ptmt -75.57 -44.33 43.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 t -68.82 -42.72 76.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.179 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.2 mtm -47.9 112.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 p -64.59 175.1 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.56 -36.63 74.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -58.76 -29.04 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -85.48 -41.62 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.504 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 74.8 mttt -71.79 -18.61 62.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.26 -72.96 0.4 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -46.83 -43.78 18.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -61.73 -35.24 77.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.65 -45.91 70.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -67.57 -62.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.2 ptp -47.41 -38.82 14.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.36 -37.18 80.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -64.3 -52.85 56.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.98 -20.25 50.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.91 -43.22 98.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -38.22 -32.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.38 -67.51 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.423 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 2.9 ppt_? -48.4 -24.8 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.566 ' CE2' ' HG2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -67.14 -42.03 85.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -47.53 -21.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.482 ' HD3' ' N ' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -46.18 -42.98 14.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.482 ' N ' ' HD3' ' A' ' 80' ' ' ARG . 9.8 pt-20 -79.65 -39.02 32.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.8 mtp -44.57 -22.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -48.03 -49.85 29.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 79.5 p -65.97 -35.37 80.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.41 ' C ' HG13 ' A' ' 86' ' ' ILE . 83.9 t80 -68.37 157.56 35.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.41 HG13 ' C ' ' A' ' 85' ' ' TYR . 21.4 mt -142.45 105.01 5.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 169.82 17.99 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.389 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 169.31 19.32 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -66.31 -30.67 71.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 38.89 -116.38 0.56 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -128.48 45.15 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.399 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.7 m -155.32 132.66 11.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.13 147.84 23.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -154.59 138.02 15.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.496 ' HG2' ' CD1' ' A' ' 96' ' ' PHE . 28.7 ttmt -71.42 165.93 22.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.496 ' CD1' ' HG2' ' A' ' 95' ' ' LYS . 51.3 p90 -51.66 -175.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.22 164.1 28.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -41.49 102.03 0.26 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.657 0.742 . . . . 0.0 110.839 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -11.87 31.69 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -72.14 -51.2 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -50.51 142.86 14.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.562 0.696 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 166.94 25.84 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.344 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.37 164.28 14.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -84.93 130.63 51.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.576 0.703 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 164.86 32.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 156.0 64.31 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.3 p -107.08 161.85 14.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.52 -41.46 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.479 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 10.5 t80 -60.83 -43.07 98.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.829 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 114' ' ' SER . 49.2 t80 -66.39 -47.32 73.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 72.6 mt -58.6 -38.77 78.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 113' ' ' CYS . 1.1 t80 -71.17 -60.37 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.53 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.2 p -58.56 -30.79 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 18.0 m -67.54 -21.94 65.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -97.92 -20.04 17.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.416 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.1 m-85 -92.57 -31.96 15.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.557 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 2.1 ttt180 -48.62 -56.06 16.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.77 -14.18 35.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.603 2.202 . . . . 0.0 112.364 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -89.23 -33.25 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 121' ' ' LYS . 12.1 pt -93.26 -44.99 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.414 ' N ' HG13 ' A' ' 120' ' ' ILE . 29.5 ttpt -47.19 -37.33 10.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -75.67 -37.47 39.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.473 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -68.85 -40.52 79.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -114.44 92.61 28.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.567 0.699 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -12.99 33.93 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.08 -42.8 9.19 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 46.5 mt -54.56 123.93 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.5 p -90.55 169.46 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 43.9 mt -45.48 -37.59 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.51 -58.06 7.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.471 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 132' ' ' VAL . 10.8 m-20 -58.41 -58.02 10.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 131' ' ' ASP . 69.5 t -35.27 -47.85 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.74 -48.92 78.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 131' ' ' ASP . 46.1 mmtt -51.82 -36.75 49.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -64.83 -29.34 70.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.8 mt -86.77 -28.1 23.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.02 -43.53 97.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 139' ' ' MET . 12.9 pt-20 -75.56 -45.0 40.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.441 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 2.8 mmm -43.95 -67.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.506 ' CH2' ' HG2' ' A' ' 148' ' ' LYS . 3.2 t-105 -45.13 -36.38 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -74.68 -29.48 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 139' ' ' MET . 24.7 p30 -104.77 30.41 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.436 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 18.3 m -114.26 137.06 52.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.47 131.7 44.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -41.61 -39.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -51.85 -44.47 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.436 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 9.2 t70 -62.52 -21.05 65.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.506 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 72.3 mttt -94.74 12.33 28.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.514 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.1 tt0 -58.73 -58.73 17.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.7 Cg_endo -69.74 -32.41 18.71 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 18.1 m-85 -69.41 -46.12 67.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.56 -58.44 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -46.71 -54.05 10.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -55.28 -69.29 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -39.42 -45.01 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -47.76 -50.54 25.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -51.96 -49.7 62.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 60.3 mt -53.37 -53.3 53.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -38.01 -50.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -47.12 -55.29 8.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -47.81 -44.43 28.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -62.68 -61.04 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.87 -39.8 12.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -70.86 -51.45 26.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -54.25 -50.48 67.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 6.1 tt -66.22 -36.52 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -45.21 -39.81 6.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.89 -42.45 60.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -51.91 -57.77 8.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 171' ' ' ALA . 14.7 ptm180 -54.85 -40.97 70.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 170' ' ' ARG . . . -171.16 108.84 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -52.86 107.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.906 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -74.83 172.45 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -105.42 127.21 52.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.61 -95.37 0.94 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t 41.89 44.27 2.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -126.35 122.69 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.48 143.89 16.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -138.35 139.38 39.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.339 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.44 131.61 2.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -126.03 -45.88 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.366 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.56 -40.2 1.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.442 ' CB ' ' HE3' ' A' ' 14' ' ' LYS . 3.0 m-20 -41.68 150.09 0.37 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.586 0.708 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -4.47 14.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' HE3' ' CB ' ' A' ' 12' ' ' ASP . 35.7 mttt -45.79 -67.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' LYS . 22.4 ttpt -34.5 128.08 0.48 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.704 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.505 ' O ' ' CE ' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.83 95.87 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -87.47 25.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.63 -175.47 47.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -106.11 -174.18 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.5 mtp -96.15 173.37 7.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' SER . 5.8 t -114.59 156.12 25.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' SER . 10.1 p -36.29 -44.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.85 -60.54 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.33 -33.53 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -82.98 -39.89 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -26.4 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.6 t -81.88 -31.33 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.63 -11.51 36.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.2 m -91.22 -52.21 4.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 m -63.02 -21.89 66.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.408 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 35.2 ptt85 -80.21 -43.28 21.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 6.3 pt-20 -70.14 -49.69 48.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.531 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 18.7 mt-10 -50.94 -35.11 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LYS . 38.3 t60 -63.36 -60.45 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -37.33 -29.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.8 OUTLIER -78.44 -43.94 25.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' HIS . 14.2 mmmt -69.21 -43.49 73.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -131.92 94.97 23.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 110.803 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -49.6 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.256 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -92.5 38.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.36 172.96 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.8 t -125.22 50.61 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.4 HG13 ' NE2' ' A' ' 34' ' ' HIS . 3.6 p -84.61 145.15 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -105.19 145.41 30.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -67.16 -64.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.4 t -44.32 -36.7 2.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -73.69 -38.6 64.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -68.36 -23.73 64.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.87 -49.89 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -21.71 66.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -87.38 -39.62 15.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.2 m -55.21 -28.23 51.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -64.64 -56.51 13.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.11 -25.8 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.0 mtt85 -79.4 -22.25 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.502 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 46.7 t-105 -82.11 -35.65 28.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -76.7 -33.48 58.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.6 t -72.55 -40.31 66.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.9 mtm -51.81 113.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 t -62.06 174.05 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.52 -46.38 73.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -48.08 -40.36 22.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -70.63 -52.76 19.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.502 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 86.5 mttt -63.97 -14.15 51.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -47.66 -61.66 4.56 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -55.83 -57.63 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -48.57 -35.9 14.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -67.65 -38.86 84.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -69.97 -29.93 67.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 mtm -82.18 -45.05 15.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.59 84.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -65.08 -36.48 84.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.455 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -74.98 -29.5 60.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -68.99 -1.99 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.415 ' CD ' ' HD2' ' A' ' 19' ' ' LYS . 36.7 tptt -75.52 -18.58 59.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -109.39 -20.16 13.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.33 -14.22 41.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -73.36 -30.11 63.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.962 -179.869 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.479 ' HG2' ' CZ ' ' A' ' 78' ' ' TYR . 33.0 mt-10 -72.19 -61.46 1.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -51.71 -44.8 63.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -47.18 -45.31 22.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 16' ' ' PRO . 40.3 ttm -39.1 -41.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -50.21 -48.85 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.0 t -107.45 36.12 2.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -67.4 106.12 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 63.7 mt -115.92 98.12 50.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 0.0 111.097 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.578 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.78 150.8 68.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.358 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -171.9 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -70.43 -28.85 65.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.47 166.86 3.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -123.01 -174.85 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.7 m -126.47 32.26 5.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.38 136.7 57.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -163.41 146.84 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.19 -179.92 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -151.1 122.7 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 18.2 tptm -147.04 145.48 29.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.463 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 19.4 m-20 -118.22 73.29 10.05 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.657 0.741 . . . . 0.0 110.898 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -30.84 21.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.272 . . . . 0.0 112.367 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 101' ' ' ALA . 10.7 m120 -61.53 -40.02 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 100' ' ' ASN . . . -34.03 127.36 0.46 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.099 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.433 ' HG3' ' CA ' ' A' ' 166' ' ' ILE . 53.8 Cg_endo -69.78 -173.06 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.585 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 1.2 pmtp? -118.64 162.19 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -93.58 111.38 52.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 168.84 20.28 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.368 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 179.38 3.75 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.8 p -133.56 169.86 16.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.08 -45.6 22.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.581 ' CE1' ' SG ' ' A' ' 113' ' ' CYS . 19.2 t80 -50.21 -52.4 36.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.38 -47.11 76.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.9 mt -55.25 -64.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.74 -48.84 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.581 ' SG ' ' CE1' ' A' ' 109' ' ' PHE . 71.9 m -53.94 -61.69 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.7 t -57.62 -13.64 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -91.8 -28.46 17.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -99.29 -14.95 19.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.622 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 6.3 ttt180 -55.85 -52.16 74.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.6 Cg_endo -69.79 -5.64 16.71 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -93.74 -55.67 3.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.6 pt -77.17 -35.44 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 117' ' ' ARG . 31.4 ttmt -61.09 -55.85 27.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -62.57 -41.53 99.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -66.25 -39.95 89.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.923 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -116.43 92.83 38.08 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -14.26 35.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.346 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -79.93 -37.66 21.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.41 122.19 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.2 m -98.38 164.33 12.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.1 mt -38.28 -41.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -57.83 -50.33 66.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 134' ' ' LYS . 5.5 m-20 -71.81 -64.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 131' ' ' ASP . 59.4 t -34.82 -51.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.81 -44.52 63.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 131' ' ' ASP . 33.3 ttpt -64.16 -30.64 71.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -72.86 -21.3 60.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 28.4 mt -88.87 -32.23 17.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.62 -46.27 85.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.423 ' C ' ' OE1' ' A' ' 138' ' ' GLU . 0.9 OUTLIER -72.61 -39.63 67.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 24.9 mmm -54.57 -45.2 73.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.463 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 3.0 t-105 -64.79 -45.44 86.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -58.03 -31.46 67.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -103.6 42.05 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 30.9 m -121.36 137.0 54.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -82.26 143.82 31.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -45.57 -38.57 6.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -53.36 -49.56 66.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -63.11 -13.24 34.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.436 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 70.6 mttt -101.82 9.06 41.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.513 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.4 tt0 -55.92 -58.61 15.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.59 0.71 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.81 -38.73 7.3 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.632 2.221 . . . . 0.0 112.342 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -64.59 -39.31 93.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -77.4 -60.67 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 149' ' ' GLN . 31.6 mmtt -42.23 -47.93 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -61.75 -55.02 34.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.2 -29.68 61.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.14 96.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -57.6 -47.94 80.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.57 -40.93 89.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -60.61 -50.58 72.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 164' ' ' LYS . 28.7 mm-40 -40.48 -44.39 2.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -41.78 96.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.959 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 103' ' ' LYS . 13.1 t80 -68.39 -56.77 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -55.02 -35.06 64.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 160' ' ' GLU . 0.0 OUTLIER -74.16 -45.36 49.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.87 -42.88 99.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.433 ' CA ' ' HG3' ' A' ' 102' ' ' PRO . 6.9 tt -69.75 -30.57 45.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -56.8 -26.91 58.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -94.61 -33.5 12.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -48.31 -57.1 6.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -92.31 -45.06 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 68.08 44.83 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -52.24 -54.42 31.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 179.926 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.6 p -174.54 110.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.383 . . . . 0.0 110.899 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -53.88 168.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.87 179.94 17.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -166.17 136.33 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.87 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -137.82 129.31 28.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.46 -87.25 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.8 ttm -45.57 -45.59 13.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.94 77.16 2.07 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -129.45 109.68 11.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.37 -74.41 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.98 144.5 41.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 0.84 5.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -40.87 -52.83 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -58.2 112.26 4.64 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.547 0.689 . . . . 0.0 110.905 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 178.3 4.72 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.24 . . . . 0.0 112.353 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.61 147.68 39.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 19' ' ' LYS . . . 168.95 -46.05 0.22 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.515 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 5.4 mtmp? -37.38 130.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.723 0.296 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.519 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 21.0 mtp -126.21 145.12 50.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -87.94 174.69 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.9 m -48.83 -49.19 40.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -65.09 -57.18 9.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.14 -38.69 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 6.6 m-85 -80.86 -53.19 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -47.99 -23.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.9 t -75.93 -33.69 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.414 ' HG3' ' NE ' ' A' ' 31' ' ' ARG . 18.6 tt0 -92.18 -16.82 25.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.2 m -75.24 -24.4 57.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.6 m -92.85 -40.96 10.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.479 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 14.9 ptt180 -59.77 -46.65 88.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 15.1 mm-40 -60.5 -43.02 97.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -60.74 -29.15 69.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -71.23 -56.07 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.451 ' HE2' ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -46.75 -20.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -84.02 -38.06 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -78.3 -47.24 18.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -133.94 94.89 17.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -47.51 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.712 2.275 . . . . 0.0 112.364 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -92.98 33.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.9 169.63 17.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.1 p -107.29 56.65 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.8 p -93.92 134.41 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -103.03 136.83 42.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.408 ' CD2' ' N ' ' A' ' 46' ' ' SER . 10.4 p90 -50.64 -56.67 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.408 ' N ' ' CD2' ' A' ' 45' ' ' PHE . 32.8 t -55.96 -55.64 30.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -51.97 -33.63 38.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -78.49 -25.72 45.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 t -72.99 -55.87 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -60.38 -21.36 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -79.63 -33.59 41.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 m -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.9 t -66.7 -59.7 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.465 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 7.8 pt-20 -67.98 -20.88 65.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -80.6 -35.99 33.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.569 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 28.4 t-105 -72.95 -36.74 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.465 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 12.7 ptmm? -72.25 -37.0 69.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.6 t -76.09 -2.61 31.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.2 mtm -85.54 116.99 24.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.7 p -58.06 158.25 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.56 -38.9 21.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.8 mtmm -57.84 -38.87 76.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -72.32 -30.25 64.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 77.6 mttt -82.47 -28.23 31.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -43.28 -64.95 1.6 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -50.69 -50.96 53.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.483 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 15.8 m-85 -53.38 -39.39 64.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -62.4 -36.22 81.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -73.79 -61.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.1 mtm -48.52 -51.07 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.12 -44.61 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.48 ' O ' ' CG ' ' A' ' 75' ' ' LYS . 33.9 mtmt -57.21 -28.92 63.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.58 -31.72 72.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 75' ' ' LYS . 1.1 p-10 -55.56 -23.23 25.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -59.29 -22.13 60.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.08 -60.92 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 2.2 ppt_? -49.01 -31.41 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.515 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 15.2 t80 -67.97 -43.87 77.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -43.58 -32.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 18.8 ttm105 -54.3 -41.29 68.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.25 -18.89 62.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.9 ttm -71.53 -8.85 56.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -33.71 76.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 85' ' ' TYR . 14.9 t -86.85 -26.12 24.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.163 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.554 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 13.2 t80 -40.67 153.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.554 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 24.2 mt -141.97 111.63 6.18 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 0.0 111.087 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 164.71 33.56 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.47 6.72 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.75 2.3 . . . . 0.0 112.356 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -66.91 116.79 8.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -164.23 -160.44 11.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.02 91.21 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.951 0.405 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.424 ' CG2' ' N ' ' A' ' 93' ' ' LYS . 94.6 m -163.13 159.96 23.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.175 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.424 ' N ' ' CG2' ' A' ' 92' ' ' THR . 33.9 mtpt -94.44 92.87 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.1 163.91 38.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -86.74 170.98 11.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -66.05 -179.7 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -107.05 171.87 7.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.466 ' N ' ' HD2' ' A' ' 97' ' ' LYS . 5.2 t70 -100.5 108.22 52.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.552 0.691 . . . . 0.0 110.85 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -23.94 30.15 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -62.46 -46.13 89.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -39.47 138.88 0.91 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.566 0.698 . . . . 0.0 111.082 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.82 4.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.645 2.23 . . . . 0.0 112.33 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.0 151.88 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -95.33 142.9 25.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.63 0.729 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.76 33.35 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.393 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 151.39 69.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -100.73 169.66 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.27 -46.86 46.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.481 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 6.1 t80 -65.31 -33.6 76.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 114' ' ' SER . 8.4 t80 -75.44 -32.59 60.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.3 mt -69.16 -48.79 61.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.531 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 1.5 t80 -64.8 -58.51 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.495 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.7 p -54.92 -31.3 60.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.475 ' N ' ' HG ' ' A' ' 113' ' ' CYS . 14.2 t -74.55 -35.76 63.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -78.91 -21.89 46.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -96.43 -17.27 20.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.62 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 11.5 ttp180 -56.36 -52.33 73.96 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.582 0.706 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.5 Cg_endo -69.74 -1.61 8.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.364 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -103.78 -36.73 7.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 21.1 pt -91.41 -37.98 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -56.54 -37.3 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.46 -30.11 41.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.536 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.69 -45.9 49.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.46 ' CB ' HD11 ' A' ' 127' ' ' LEU . 15.6 m-70 -109.85 88.82 7.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.553 0.692 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -6.32 18.32 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -91.26 -40.15 5.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.46 HD11 ' CB ' ' A' ' 124' ' ' HIS . 22.2 mt -57.48 127.41 31.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 129' ' ' ILE . 82.8 p -100.66 162.43 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 128' ' ' SER . 18.3 mt -36.5 -37.63 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.32 -52.86 43.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 134' ' ' LYS . 2.3 m-20 -71.11 -58.33 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 131' ' ' ASP . 54.5 t -34.28 -44.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.05 89.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 131' ' ' ASP . 31.5 tptt -62.9 -23.0 67.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -76.41 -30.41 57.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.0 mt -88.77 -39.22 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -52.65 -39.81 54.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -81.43 -36.31 29.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.1 -42.29 98.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.531 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 13.0 t-105 -68.46 -35.11 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -72.19 -27.53 62.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -89.17 -36.42 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 20.6 m -42.72 148.95 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -81.6 152.54 27.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.52 83.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -57.38 -36.2 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.78 -19.44 62.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.466 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 27.2 mttp -92.75 -18.39 22.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.504 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.7 tt0 -34.78 -59.09 0.63 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.523 0.677 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.8 Cg_endo -69.77 -45.16 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.655 2.237 . . . . 0.0 112.379 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.452 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 15.0 m-85 -53.63 -31.65 48.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.01 -53.79 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -50.24 -36.9 33.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -75.61 -50.9 14.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.86 -18.41 8.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -75.74 -60.9 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 158' ' ' LEU . 12.7 pttt -49.71 -38.58 33.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.466 ' N ' ' HG3' ' A' ' 157' ' ' LYS . 12.6 mt -59.54 -40.51 87.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -48.38 -39.42 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -51.95 -53.08 45.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -50.29 -24.92 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -88.82 -48.88 7.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.06 -39.75 66.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -68.71 -39.25 80.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -67.9 -46.57 71.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 15.3 tt -70.06 -25.93 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -55.66 -29.54 59.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -93.48 -35.73 12.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -43.84 -48.91 8.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 171' ' ' ALA . 16.0 ptt85 -84.93 -40.97 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 170' ' ' ARG . . . 36.34 44.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -73.6 103.22 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -161.68 130.29 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t -67.59 -43.8 79.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.38 94.34 2.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.455 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -88.34 -54.26 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -76.02 145.92 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.823 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.67 48.48 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.441 ' SD ' ' N ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER -172.31 155.12 3.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 110.839 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.441 ' N ' ' SD ' ' A' ' 8' ' ' MET . . . -70.26 168.32 48.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.476 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -163.77 139.61 6.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.59 70.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -132.35 151.81 78.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.621 0.724 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 0.54 5.52 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.12 -46.62 45.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 17' ' ' ARG . 25.5 mttm -67.29 121.68 79.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.547 0.689 . . . . 0.0 110.943 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' ARG . 54.4 Cg_endo -69.68 7.38 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' PRO . 29.7 ptt180 34.5 41.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.98 -51.95 55.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 23.1 mtmt -45.83 135.11 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.562 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 8.8 mtm -132.63 172.66 12.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -108.71 -176.65 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -57.04 -48.95 77.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -64.65 -60.24 3.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.24 -40.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 9.7 m-85 -78.32 -55.0 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -47.48 -31.76 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.2 t -73.11 -32.21 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -92.29 -15.43 27.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.0 m -86.71 -46.64 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.5 p -67.82 -33.87 75.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -59.69 -46.14 89.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 50.0 mm-40 -71.99 -48.27 46.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -49.84 -31.73 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -68.73 -60.43 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.22 -25.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -82.41 -40.54 21.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -69.45 -43.78 72.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -134.8 94.67 16.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.7 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.638 2.225 . . . . 0.0 112.372 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.85 -37.96 60.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.22 124.59 23.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.8 m -104.14 95.63 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.501 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 12.0 p -90.2 128.7 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -67.44 160.08 28.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -84.08 -47.97 10.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -57.64 -46.92 83.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.564 ' CD ' ' N ' ' A' ' 48' ' ' PHE . 2.1 pp20? -62.61 -45.7 91.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.564 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 11.9 t80 -53.89 -26.11 23.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.2 t -71.7 -50.81 26.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -61.15 -19.56 61.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -87.29 -57.42 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.0 p -46.97 -25.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.6 t -67.62 -71.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.22 -17.67 64.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -84.01 -22.18 31.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.574 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 24.1 t-105 -88.72 -36.7 16.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -70.0 -27.22 64.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.2 t -88.41 7.41 32.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.573 ' HE1' ' CE3' ' A' ' 56' ' ' TRP . 35.9 mtp -94.57 112.66 24.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.5 m -53.22 155.97 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.09 -38.22 11.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -56.47 -48.81 76.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.73 -51.16 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 92.4 mttt -61.37 -34.04 74.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -34.99 -66.95 0.3 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.546 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 7.9 ptpp? -48.03 -31.69 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.338 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.563 ' CD1' ' HB2' ' A' ' 26' ' ' PHE . 81.4 m-85 -83.83 -23.13 31.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' GLY . 10.7 mt-10 -81.61 -20.81 38.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -93.62 -36.32 12.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.467 ' HE2' ' CD1' ' A' ' 67' ' ' PHE . 8.8 ptp -75.2 -23.09 57.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.37 -45.22 23.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 7.5 ptmt -60.39 -35.4 75.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.443 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -57.79 -31.58 66.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -55.91 -37.87 69.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -39.03 -36.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.9 -58.39 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -12.98 3.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.505 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 3.2 t80 -76.0 -37.87 58.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -53.4 -50.81 64.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -49.7 -38.01 31.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.19 -35.37 80.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 38.1 mmm -63.96 -23.48 67.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -53.81 -58.67 6.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.0 p -56.07 -22.21 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.606 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.2 OUTLIER -83.13 96.8 8.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.1 mt -114.24 99.76 51.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.577 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.0 Cg_endo -69.72 167.53 24.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 89' ' ' LYS . 54.3 Cg_endo -69.73 -174.22 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.38 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' PRO . 13.0 mmtt -34.35 99.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -178.12 -55.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -54.8 165.49 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 81.0 p -41.98 164.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -48.87 113.01 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -146.19 142.45 28.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 94' ' ' LYS . 35.8 mttt -36.77 101.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -108.84 126.06 52.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -126.53 90.44 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -132.78 77.4 68.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.72 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -10.62 29.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.316 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -97.4 -32.54 11.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.16 140.43 96.1 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.7 . . . . 0.0 111.119 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -165.31 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.63 2.22 . . . . 0.0 112.359 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.53 140.3 53.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -86.04 121.84 72.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.79 18.07 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 170.04 17.55 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.633 2.222 . . . . 0.0 112.311 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.1 m -126.99 171.52 11.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.39 -64.41 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.498 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 10.7 t80 -45.39 -51.59 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -57.57 -43.02 84.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.85 -56.26 18.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.657 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.3 OUTLIER -57.34 -47.61 81.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.406 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.4 p -65.67 -32.9 74.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.2 m -71.67 -18.32 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -99.37 -15.88 18.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.623 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 3.1 m-85 -97.07 -40.83 8.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.563 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 0.4 OUTLIER -44.04 -55.26 9.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 110.884 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.2 Cg_endo -69.76 -16.37 37.54 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.353 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -88.28 -30.1 19.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 121' ' ' LYS . 12.4 pt -94.26 -47.15 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.445 ' N ' HG13 ' A' ' 120' ' ' ILE . 0.8 OUTLIER -44.0 -41.13 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.71 -36.53 75.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.472 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -71.86 -40.8 68.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -112.19 90.47 13.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.599 0.714 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -9.64 26.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -85.39 -39.1 8.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.15 132.83 54.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 129' ' ' ILE . 23.1 t -106.5 163.29 12.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 128' ' ' SER . 51.1 mt -34.5 -38.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.09 -56.38 16.33 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 134' ' ' LYS . 7.2 m-20 -65.57 -61.19 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.359 . . . . 0.0 110.817 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 131' ' ' ASP . 89.6 t -34.52 -39.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.05 -48.97 79.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 131' ' ' ASP . 4.4 ttpm? -53.43 -36.89 62.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 139' ' ' MET . 9.2 tptt -64.85 -31.94 73.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.7 mt -81.62 -35.11 30.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.86 -44.43 97.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.485 ' O ' ' ND2' ' A' ' 142' ' ' ASN . 13.2 pt-20 -78.28 -46.81 19.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 14.3 mmm -44.64 -58.17 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.657 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 7.2 t-105 -52.29 -51.29 59.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -51.92 -34.47 41.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 138' ' ' GLU . 19.8 m-80 -102.04 41.35 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 48.5 m -109.4 142.37 40.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -74.66 136.97 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -51.97 -41.75 62.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -58.74 -34.0 70.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -73.14 -18.19 61.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.567 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 30.5 mttm -91.31 -24.2 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.527 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.8 tt0 -33.6 -58.09 0.56 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.4 Cg_endo -69.77 -25.93 28.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.246 . . . . 0.0 112.329 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.502 ' N ' ' O ' ' A' ' 148' ' ' LYS . 13.7 m-85 -79.76 -21.17 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -94.07 -54.25 3.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -53.52 -41.4 66.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -56.47 15.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.86 -41.26 57.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -51.15 -44.34 61.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -58.09 -46.39 85.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.14 -31.09 69.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -65.56 -48.85 71.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -45.41 -57.65 3.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.94 -34.64 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -75.07 -54.66 6.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -53.42 -33.68 54.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -70.46 -40.81 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.58 -52.1 35.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 7.9 tt -62.1 -34.13 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -50.32 -23.52 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -96.27 -32.02 12.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -54.55 -48.91 71.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -83.52 -41.81 17.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 172' ' ' LYS . . . -88.21 46.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 171' ' ' ALA . 8.3 ptmm? -34.47 127.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -98.45 148.25 23.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -155.06 109.36 2.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.71 -147.48 12.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 p -142.6 164.43 30.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -44.87 -69.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.46 145.64 6.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.6 ptm -115.23 139.8 49.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.91 89.47 0.35 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -60.15 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.33 85.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.452 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -119.09 151.87 51.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -6.29 18.22 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 15' ' ' LYS . 24.9 mtpt -75.18 -43.7 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' LYS . 35.7 tttp -34.11 115.65 0.48 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.893 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 89.23 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.315 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 -91.71 36.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.34 151.58 16.83 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.536 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -94.41 174.1 7.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 25.4 mtp -94.94 162.76 13.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -96.17 -175.17 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -54.69 -53.34 56.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.799 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -60.86 -62.89 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.58 -36.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 8.0 m-85 -83.15 -40.77 19.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.41 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -59.57 -33.07 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.38 -27.75 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.066 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.438 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 4.6 tt0 -91.54 -17.36 25.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.5 m -82.5 -32.72 28.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.1 m -84.12 -33.05 24.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' A' ' 28' ' ' GLN . 6.7 ptp180 -70.43 -37.97 74.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -73.9 -44.33 55.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.33 -34.01 70.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.443 ' CD2' HG11 ' A' ' 43' ' ' VAL . 25.6 t60 -58.42 -66.59 0.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -43.07 -30.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -74.0 -48.69 28.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.0 mmtt -62.77 -41.69 99.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -133.96 94.63 18.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.553 0.692 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -36.0 11.67 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.344 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.61 -34.26 69.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.77 118.82 16.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -102.91 96.16 6.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.443 HG11 ' CD2' ' A' ' 34' ' ' HIS . 11.3 p -85.75 142.07 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -80.05 152.61 29.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -70.96 -57.64 4.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -50.77 -53.62 30.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -57.09 -40.01 76.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.496 ' CE2' ' SG ' ' A' ' 52' ' ' CYS . 49.8 t80 -67.44 -35.06 78.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' A' ' 50' ' ' LYS . 3.0 p -53.56 -58.57 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' N ' ' OG ' ' A' ' 49' ' ' SER . 3.5 ptmm? -58.48 -19.49 37.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -81.78 -26.88 34.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.496 ' SG ' ' CE2' ' A' ' 48' ' ' PHE . 94.3 m -79.79 -26.86 40.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -70.71 -49.2 49.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -76.41 -14.65 60.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.5 mtt-85 -90.42 -28.93 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.518 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 47.4 t-105 -77.58 -38.57 48.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -70.23 -39.71 74.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.5 t -66.68 -40.4 88.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.3 mtm -51.28 110.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.0 m -47.6 175.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.33 -27.92 69.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -70.46 -56.56 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -50.27 -29.71 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.518 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 97.0 mttt -80.2 -28.84 38.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.8 -55.13 3.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -54.26 -36.65 63.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -78.25 -28.05 47.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.2 -30.43 64.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -84.55 -42.78 15.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.1 ptp -63.23 -27.28 69.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.98 -45.78 73.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -54.39 -53.41 54.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.93 82.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.433 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 89.9 m-20 -54.28 -14.9 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -61.66 -19.26 62.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.95 -37.64 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.433 ' CG ' ' HA ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER -63.58 -29.04 70.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.536 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 1.1 p90 -50.75 -32.94 21.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -44.4 -37.57 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -48.15 -39.13 19.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -50.11 -49.05 53.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 35.1 tpp -52.73 -34.56 53.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -55.74 30.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 85' ' ' TYR . 4.1 t -82.66 11.06 6.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.548 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 1.3 t80 -32.24 135.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 mt -123.09 114.35 29.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.638 0.733 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 169.86 17.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.339 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 178.18 4.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.402 ' O ' ' CD ' ' A' ' 89' ' ' LYS . 7.3 tmtm? 60.94 52.08 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.18 -110.84 0.53 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -126.57 6.73 6.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.93 0.395 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.415 ' HB ' ' NZ ' ' A' ' 14' ' ' LYS . 2.5 m -120.02 114.14 21.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 170.15 3.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.16 168.38 12.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.891 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -121.0 150.75 40.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -95.4 116.49 28.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 98' ' ' ASP . 1.3 tmtt? -118.08 156.27 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.461 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 0.9 OUTLIER -108.01 84.98 2.33 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.574 0.702 . . . . 0.0 110.882 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.58 18.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.272 . . . . 0.0 112.359 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -43.43 -31.27 0.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.28 132.08 95.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 111.105 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -175.29 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.398 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.99 158.14 42.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -75.14 130.85 79.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 164.26 35.22 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.97 17.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.26 . . . . 0.0 112.357 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 108' ' ' ALA . 5.2 p -118.49 154.13 33.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -34.56 -43.82 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.597 ' CE1' ' SG ' ' A' ' 113' ' ' CYS . 23.8 t80 -58.03 -61.21 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -47.35 -43.24 22.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 114' ' ' SER . 68.0 mt -60.61 -66.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.6 ' CE2' ' CZ ' ' A' ' 116' ' ' TYR . 0.4 OUTLIER -41.38 -45.0 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.597 ' SG ' ' CE1' ' A' ' 109' ' ' PHE . 13.4 m -67.67 -34.34 76.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 111' ' ' LEU . 11.1 t -65.1 -14.82 61.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -101.36 -31.24 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.6 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 5.2 m-85 -81.58 -35.8 29.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.568 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 7.8 ttm180 -45.67 -55.62 12.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.0 Cg_endo -69.71 -14.74 36.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.382 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -97.11 -19.36 18.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 116' ' ' TYR . 3.4 pt -101.76 -48.63 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.403 ' N ' ' CG1' ' A' ' 120' ' ' ILE . 26.2 ttpp -48.51 -43.6 35.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.82 -36.25 86.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -70.0 -41.91 73.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.456 ' CG ' HD11 ' A' ' 127' ' ' LEU . 63.9 m-70 -111.86 92.89 18.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.9 Cg_endo -69.7 -7.47 21.12 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -93.61 -31.58 8.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.456 HD11 ' CG ' ' A' ' 124' ' ' HIS . 17.0 mt -60.24 134.81 57.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.8 t -107.98 166.99 10.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 56.9 mt -44.18 -36.34 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.52 -50.52 36.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 132' ' ' VAL . 11.7 m-20 -69.02 -58.62 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 131' ' ' ASP . 53.8 t -36.14 -45.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.85 -59.72 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.24 -36.55 9.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -63.51 -33.18 75.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 22.1 mt -82.38 -25.09 34.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.419 ' O ' ' ND2' ' A' ' 141' ' ' ASN . . . -68.74 -44.31 70.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.494 ' OE1' ' ND2' ' A' ' 142' ' ' ASN . 2.1 pp20? -71.52 -35.64 70.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 30.7 mtt -54.8 -64.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.541 ' CD1' ' HB2' ' A' ' 109' ' ' PHE . 1.7 t-105 -47.56 -38.78 14.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 137' ' ' GLY . 62.7 m-80 -72.66 -24.19 61.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . 0.494 ' ND2' ' OE1' ' A' ' 138' ' ' GLU . 21.3 p30 -111.29 26.91 10.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.4 m -110.97 138.9 46.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.63 144.59 45.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.044 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.84 -38.74 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -55.21 -35.33 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -73.45 -14.81 61.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -98.03 2.75 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.498 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.9 tt0 -51.06 -58.84 9.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.75 -21.57 33.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.728 2.286 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.515 ' CZ ' ' HA ' ' A' ' 112' ' ' PHE . 22.5 m-85 -85.21 -22.9 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -92.52 -53.41 4.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -51.05 -47.41 61.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -49.32 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -49.12 -30.59 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.95 -59.88 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -50.74 -26.59 5.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.84 -38.97 31.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 160' ' ' GLU . 0.3 OUTLIER -61.57 -48.63 80.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 161' ' ' LYS . 10.6 pt-20 -61.07 -50.82 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 160' ' ' GLU . 2.7 mmmp? -52.38 -21.18 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -85.82 -66.07 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -44.52 -37.09 3.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -43.04 72.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -61.49 -44.39 97.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 6.5 tt -69.71 -27.24 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -59.53 -29.76 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -85.23 -31.28 23.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -60.17 -48.21 82.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 170' ' ' ARG . 4.3 ptp180 -80.72 -50.54 9.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 170' ' ' ARG . . . -175.23 116.81 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.054 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -44.83 -50.73 10.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -106.72 155.7 19.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -132.53 93.89 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.28 -48.3 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 6' ' ' SER . 32.8 m 40.39 40.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.893 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 5' ' ' SER . 86.6 p 37.73 50.14 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.99 159.18 45.26 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.18 164.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.62 -118.79 0.52 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -173.63 125.43 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.95 -146.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -130.63 86.87 51.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.636 0.731 . . . . 0.0 110.907 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -90.3 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.723 2.282 . . . . 0.0 112.362 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 15' ' ' LYS . 22.2 mtmt -82.45 -5.51 58.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' HG2' ' CE2' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -33.03 126.78 0.4 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.587 0.708 . . . . 0.0 110.877 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 108.78 2.17 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -82.11 40.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' LYS . . . 115.05 148.98 9.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.588 ' HB3' ' CD2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -49.04 -179.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.7 mtp -111.14 176.14 5.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' SER . 3.6 t -93.32 156.78 16.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' SER . 1.9 m -36.69 -67.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.481 ' CD1' ' CG ' ' A' ' 56' ' ' TRP . 39.8 t80 -51.97 -46.08 64.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.946 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.48 -34.78 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -80.95 -44.12 18.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -55.23 -16.89 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.0 t -92.38 -26.93 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -91.95 -23.52 19.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 m -77.17 -64.98 1.01 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.5 m -51.34 -40.78 59.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.475 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 7.4 ptm180 -64.83 -38.24 90.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 36' ' ' LYS . 6.2 mm-40 -78.46 -21.46 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -80.89 -32.84 34.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LYS . 3.0 t60 -59.84 -57.54 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -39.54 -29.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.4 OUTLIER -80.51 -41.32 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' HIS . 17.7 mmtp -69.75 -43.2 72.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -134.73 93.99 17.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.612 0.72 . . . . 0.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.358 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.83 33.79 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.43 178.59 6.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.08 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.8 m -127.78 101.99 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 p -126.31 144.22 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -103.62 179.43 4.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -98.42 -50.87 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -64.06 -20.59 66.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -85.64 -43.86 13.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 7.6 t80 -64.41 -23.49 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -82.95 -42.12 18.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.9 pttt -72.57 -20.99 61.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -86.49 -38.56 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.4 p -69.28 -24.63 63.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -75.85 -40.2 55.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -84.01 -14.03 51.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -91.17 -45.85 8.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.563 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 41.4 t-105 -58.51 -33.1 69.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.21 -40.04 46.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.941 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 t -80.21 12.69 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.9 mtm -95.6 111.83 23.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 64.7 m -47.21 161.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.88 -29.99 56.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -68.58 -52.45 31.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -51.92 -35.38 45.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.518 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 90.8 mttt -80.6 -32.61 36.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -36.6 -54.7 1.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.451 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -54.37 -56.35 19.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 31.0 m-85 -54.96 -33.78 62.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.93 -32.06 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -79.74 -39.44 31.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.401 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 5.0 mtm -70.3 -43.07 71.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.86 -48.25 82.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.453 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 13.3 pttm -64.55 -45.4 87.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.453 ' N ' ' CG ' ' A' ' 72' ' ' LYS . . . -70.05 -29.76 66.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.09 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.466 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 52.1 m-20 -61.35 -8.83 4.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' NZ ' ' O ' ' A' ' 72' ' ' LYS . 6.9 ptpp? -62.41 -25.23 67.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.42 -19.43 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.466 ' CG ' ' HA ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -86.27 -15.55 40.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.588 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -80.1 -28.64 39.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.459 ' HG2' ' CZ ' ' A' ' 78' ' ' TYR . 30.9 mt-10 -76.02 -14.82 60.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -88.89 -55.9 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 83' ' ' LYS . 17.9 pt-20 -42.18 -35.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.6 tpp -37.61 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 81' ' ' GLU . 2.7 ptmm? -62.48 -48.84 77.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 81' ' ' GLU . 14.9 t -61.63 -16.1 45.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.214 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.573 ' CE1' ' HD3' ' A' ' 87' ' ' PRO . 0.7 OUTLIER -84.07 108.81 17.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.415 HG22 ' CG ' ' A' ' 98' ' ' ASP . 60.4 mt -118.03 95.03 47.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 111.16 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.573 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.7 146.51 60.78 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -173.0 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.68 124.13 31.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -154.62 -118.82 0.67 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -51.24 -179.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 61.4 p -98.19 131.83 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 94' ' ' LYS . 10.9 mtmt -170.5 -175.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' LYS . 38.4 ttpt -32.58 145.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -59.62 127.63 32.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -175.08 148.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.432 ' HD2' ' C ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -161.04 144.51 13.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.415 ' CG ' HG22 ' A' ' 86' ' ' ILE . 14.4 t70 -129.54 102.36 18.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.567 0.698 . . . . 0.0 110.833 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 98' ' ' ASP . 53.3 Cg_endo -69.78 -15.02 36.81 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.676 2.251 . . . . 0.0 112.29 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -80.06 -28.17 39.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.72 138.02 23.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.556 0.694 . . . . 0.0 111.099 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.64 3.06 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.468 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 0.4 OUTLIER -110.7 152.23 26.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.0 mtm105 -103.15 142.83 25.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.674 0.75 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 166.59 27.05 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.691 2.261 . . . . 0.0 112.382 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 165.05 32.34 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 109' ' ' PHE . 41.9 p -111.63 154.79 24.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.4 -32.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.518 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 7.7 t80 -73.51 -55.86 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -57.36 -36.81 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 43.3 mt -63.1 -55.04 28.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.541 ' HB2' ' CE2' ' A' ' 151' ' ' TYR . 0.9 OUTLIER -56.61 -55.7 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.489 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 4.1 p -59.5 -31.15 69.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.441 ' N ' ' HG ' ' A' ' 113' ' ' CYS . 2.0 t -65.9 -24.09 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.851 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -90.26 -23.4 21.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -98.51 -11.86 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.632 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 13.6 ttp180 -60.23 -52.3 74.16 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.63 0.729 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.1 Cg_endo -69.78 3.22 2.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -103.24 -50.41 3.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 9.3 pt -80.27 -37.93 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -51.6 -36.82 47.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.82 -16.4 75.27 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -87.26 -42.99 12.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -112.58 92.2 19.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.542 0.687 . . . . 0.0 110.83 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 1.71 4.16 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -98.98 -41.03 3.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.3 mt -52.42 119.61 4.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 130' ' ' GLY . 89.7 p -90.43 159.26 16.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' SER . 28.7 mt -33.71 -36.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 128' ' ' SER . . . -72.43 -54.35 7.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 132' ' ' VAL . 9.0 m-20 -60.04 -58.23 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ASP . 56.8 t -36.27 -51.88 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.54 20.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -53.1 -20.82 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 16.4 tptm -78.77 -42.64 27.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.454 ' CD1' ' HB2' ' A' ' 113' ' ' CYS . 5.7 mt -74.4 -12.16 60.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.36 -38.51 95.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 0.7 OUTLIER -66.67 -40.78 88.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.377 . . . . 0.0 110.908 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -57.58 -57.74 11.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.518 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 2.3 t-105 -52.58 -37.37 57.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -74.76 -29.59 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -103.72 27.54 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.5 m -120.07 109.37 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -44.24 139.34 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -54.01 -25.93 23.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -59.37 -36.48 75.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -71.2 -22.79 61.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.485 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 75.6 mttt -86.88 -4.48 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.494 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.2 tt0 -43.23 -59.63 3.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.538 0.685 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.8 Cg_endo -69.79 -26.77 27.1 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.354 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 10.6 m-85 -74.11 -27.79 61.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -91.53 -50.86 5.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -51.22 -41.03 60.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -68.08 -63.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -41.35 -37.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -53.68 -62.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -43.52 -57.95 2.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 78.8 mt -44.93 -46.54 11.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -43.07 -57.11 3.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -40.9 -43.32 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -60.74 -45.58 93.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 103' ' ' LYS . 37.6 t80 -66.94 -46.23 75.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -51.7 -24.23 5.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -77.99 -50.55 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -60.14 -44.68 94.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 7.4 tt -75.26 -25.85 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.064 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -57.42 -36.29 71.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -84.77 -19.62 32.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -68.18 -49.3 61.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -75.71 -41.19 54.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.47 80.75 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -49.25 115.79 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -124.55 116.9 23.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -53.32 162.41 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.04 -155.22 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -167.81 137.98 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.809 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -73.09 112.16 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.42 -57.85 14.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -57.16 159.44 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.47 -66.94 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -40.3 161.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.29 -95.31 0.83 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -121.47 157.21 56.96 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.596 0.712 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -20.51 34.79 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.334 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -56.97 -57.17 13.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -58.47 113.8 7.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 110.918 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 152.7 69.55 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -110.14 134.45 52.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.03 -90.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.554 ' HG2' ' CD2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -49.65 179.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.889 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.562 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 46.0 mtp -145.9 152.17 39.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' SER . 84.3 p -78.55 155.75 29.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' SER . 0.9 OUTLIER -36.0 -47.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 -179.806 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CD1' ' CG ' ' A' ' 56' ' ' TRP . 57.6 t80 -66.67 -56.35 11.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.24 -42.2 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.043 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 2.5 m-85 -80.94 -49.16 11.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.538 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -51.09 -33.41 25.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.56 -32.83 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -91.5 -19.58 22.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.9 m -82.93 -48.9 10.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 m -65.82 -34.01 77.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 14.0 ptt180 -72.73 -44.73 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 4.3 pt-20 -67.21 -46.74 72.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 10.3 mt-10 -52.0 -37.13 52.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' LYS . 8.9 t60 -60.52 -63.58 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' N ' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -38.31 -31.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.906 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' HIS . 1.9 mptp? -77.28 -47.32 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' HIS . 26.3 mmtm -63.08 -43.02 99.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -134.2 94.36 18.11 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.54 0.686 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.66 1.52 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -54.92 -42.19 71.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.19 126.92 29.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -106.92 104.74 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.9 p -99.08 133.31 42.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -74.6 162.82 28.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -89.32 -51.22 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 m -53.88 -44.34 70.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -67.66 -50.66 56.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 15.8 t80 -41.76 -36.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -53.78 -45.07 70.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.86 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -77.66 -60.54 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.5 p -47.96 -31.42 5.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.1 t -68.17 -61.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -63.36 -24.16 67.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.46 ' HA ' ' CG2' ' A' ' 58' ' ' THR . 26.9 mtt-85 -82.84 -32.72 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.489 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 35.1 t-105 -67.8 -38.02 82.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -72.34 -51.38 20.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.46 ' CG2' ' HA ' ' A' ' 55' ' ' ARG . 6.0 t -55.84 -48.29 75.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' THR . 5.4 mtm -35.72 120.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 90.8 p -65.03 154.26 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.13 -44.53 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.067 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -49.82 -56.46 10.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -52.91 -60.05 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 81.1 mttt -49.74 -36.83 26.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -42.15 -72.48 0.28 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 3.4 pttm -47.26 -36.34 8.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.324 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 26' ' ' PHE . 25.2 m-85 -70.74 -29.29 65.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -79.6 -42.65 24.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -65.55 -36.79 84.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 17.0 ptp -76.77 -35.74 57.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.98 -45.77 63.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 12.3 ptmt -56.18 -34.64 66.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.453 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -48.94 -42.06 35.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.02 -35.38 76.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.14 -38.62 3.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.66 -67.35 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.44 -25.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.554 ' CD2' ' HG2' ' A' ' 19' ' ' LYS . 2.1 t80 -79.82 -36.79 36.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -52.4 -37.3 56.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -38.82 -46.61 1.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.1 -51.69 68.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 85' ' ' TYR . 29.0 tpp -43.24 -36.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -41.52 -47.32 3.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.7 p -70.6 -28.01 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 2.7 t80 -45.5 139.33 3.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.456 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 20.6 mt -134.88 102.23 11.26 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.602 0.715 . . . . 0.0 111.134 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 169.87 17.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.73 23.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.246 . . . . 0.0 112.37 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 44.08 46.28 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.55 -177.07 50.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.451 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.58 146.86 46.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.915 0.388 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' LYS . 7.8 t -81.96 161.25 23.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.169 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' THR . 70.3 mttt -34.63 133.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -75.09 175.07 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -52.56 178.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 97' ' ' LYS . 38.4 m-85 -125.34 143.7 50.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.486 ' HD2' ' C ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -48.23 178.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -110.06 94.57 18.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.553 0.692 . . . . 0.0 110.849 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -25.51 28.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.399 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.484 ' O ' ' CE2' ' A' ' 169' ' ' TYR . 24.4 m-20 -83.17 21.23 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.6 159.33 6.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.428 ' HG2' ' CE1' ' A' ' 162' ' ' TYR . 53.9 Cg_endo -69.76 150.8 68.7 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.456 ' N ' ' HE3' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -61.05 144.21 53.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -89.33 147.34 38.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.659 0.743 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 167.37 24.6 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.688 2.258 . . . . 0.0 112.379 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 179.09 3.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.722 2.281 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -123.3 175.83 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.37 -53.52 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.49 ' HB2' ' NE1' ' A' ' 140' ' ' TRP . 14.0 t80 -45.0 -70.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 109' ' ' PHE . 52.5 t80 -37.9 -42.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.21 -44.27 76.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 113' ' ' CYS . 0.7 OUTLIER -66.07 -54.91 19.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.489 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -60.72 -34.36 74.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.4 t -71.52 -33.2 68.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -82.33 -21.72 35.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.524 ' CD2' ' HE1' ' A' ' 139' ' ' MET . 3.9 m-85 -93.54 -30.92 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.64 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 8.4 ttp180 -43.59 -51.75 15.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.1 Cg_endo -69.83 -19.5 35.7 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.348 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -85.51 -68.31 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.453 HD11 ' CG1' ' A' ' 132' ' ' VAL . 41.7 pt -51.32 -36.34 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.425 ' N ' HG13 ' A' ' 120' ' ' ILE . 26.2 ttpp -57.78 -47.27 83.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -65.99 -38.65 94.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.82 -42.8 90.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.449 ' CG ' HD13 ' A' ' 127' ' ' LEU . 36.3 m-70 -110.11 94.62 18.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.8 Cg_endo -69.75 3.17 2.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.378 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -104.97 -41.8 1.9 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.449 HD13 ' CG ' ' A' ' 124' ' ' HIS . 69.8 mt -48.27 124.72 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.355 . . . . 0.0 110.913 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 129' ' ' ILE . 49.9 m -97.39 158.51 15.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 128' ' ' SER . 43.1 mt -33.99 -39.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.24 -53.96 12.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 132' ' ' VAL . 20.4 m-20 -66.18 -54.88 19.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.453 ' CG1' HD11 ' A' ' 120' ' ' ILE . 98.6 t -35.96 -44.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.04 -51.69 68.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.435 ' HE3' ' N ' ' A' ' 134' ' ' LYS . 0.1 OUTLIER -46.25 -39.41 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.1 -33.94 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 16.5 mt -86.59 -24.59 25.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -67.75 -41.25 89.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.76 -42.93 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.524 ' HE1' ' CD2' ' A' ' 116' ' ' TYR . 37.6 mtp -46.52 -54.29 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.551 ' CH2' ' HG2' ' A' ' 148' ' ' LYS . 5.3 t-105 -54.29 -50.32 67.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -50.49 -39.64 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -100.4 38.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.453 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 66.0 m -111.27 134.6 52.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.425 ' N ' HG23 ' A' ' 143' ' ' THR . . . -79.57 162.28 25.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.39 87.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.94 -48.88 60.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.453 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 9.7 t70 -60.59 -18.23 51.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.551 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 59.9 mttt -102.16 19.27 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.523 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.3 tt0 -68.5 -57.46 8.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 110.948 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.7 Cg_endo -69.79 -34.53 14.28 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.411 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 26.0 m-85 -67.95 -36.19 79.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -77.04 -52.52 9.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -53.72 -51.5 63.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.83 -59.91 4.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -37.11 -36.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -53.21 -50.26 65.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.417 ' NZ ' ' HA ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -54.2 -51.37 64.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 159' ' ' LYS . 20.9 mt -49.78 -54.48 18.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 158' ' ' LEU . 31.6 tttp -37.03 -42.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -40.26 -51.16 2.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -52.58 -52.4 55.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 102' ' ' PRO . 31.8 t80 -61.1 -47.89 84.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.67 -37.77 76.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -75.39 -37.86 60.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -67.88 -50.18 57.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 169' ' ' TYR . 5.3 tt -59.02 -48.45 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 171' ' ' ALA . . . -36.96 -45.71 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -78.45 -35.42 46.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.484 ' CE2' ' O ' ' A' ' 100' ' ' ASN . 8.0 t80 -51.51 -40.04 58.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.418 ' NH1' ' HA ' ' A' ' 167' ' ' ALA . 0.8 OUTLIER -115.54 -23.7 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 167' ' ' ALA . . . -130.4 71.12 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -43.55 -47.25 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.926 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 t -90.99 148.26 22.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.96 0.41 . . . . 0.0 110.809 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 p -53.64 -56.36 17.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.97 -114.9 0.84 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -174.72 161.74 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -150.17 142.32 24.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.14 158.97 30.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.3 ttt -113.2 -64.04 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.75 159.38 8.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' ASP . 37.7 mtpt -154.27 175.97 12.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' LYS . . . -36.52 96.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 10' ' ' LYS . 14.7 m-20 -161.14 154.28 17.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -10.87 29.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -65.73 -33.7 76.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' C ' ' H ' ' A' ' 17' ' ' ARG . 24.7 mtpt -87.48 108.93 22.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.915 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.57 ' O ' ' CE2' ' A' ' 78' ' ' TYR . 53.5 Cg_endo -69.79 16.34 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.262 . . . . 0.0 112.315 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 15' ' ' LYS . 9.4 ptp180 -82.29 37.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.94 102.11 0.22 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.626 ' HD3' ' CD2' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -51.86 -174.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.309 . . . . 0.0 110.931 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.404 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 41.3 mtp -133.13 143.69 49.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -96.9 157.07 16.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.401 ' OG ' ' CZ2' ' A' ' 56' ' ' TRP . 68.2 p -38.47 -45.24 1.02 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -61.07 -57.4 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.47 -39.91 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.404 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 17.5 m-85 -77.8 -57.99 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -45.12 -42.52 8.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.2 -30.02 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.39 -14.38 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.8 m -83.05 -35.97 25.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.7 p -77.86 -34.28 51.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -68.82 -37.4 79.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.539 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 8.0 pt-20 -71.7 -50.28 31.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.539 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 11.3 mt-10 -54.01 -39.86 66.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' LYS . 53.8 t60 -64.16 -67.73 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -41.52 -24.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' HIS . 17.0 mmmt -81.27 -45.99 15.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -67.47 -42.53 82.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 14.6 m-70 -132.94 94.52 20.71 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.592 0.71 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 54.5 Cg_endo -69.68 -45.36 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.7 2.267 . . . . 0.0 112.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -59.38 -40.09 85.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.44 106.81 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.2 m -92.54 89.53 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 44' ' ' ASN . 13.4 p -90.14 141.7 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.421 ' N ' HG21 ' A' ' 43' ' ' VAL . 34.8 m-20 -76.7 176.23 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 46' ' ' SER . 25.8 p90 -88.91 -47.7 7.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 25.5 t -61.83 -39.14 90.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.05 -41.29 99.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -75.41 -34.75 61.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 1.6 m -60.53 -58.28 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -57.7 -25.29 60.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.75 -43.11 26.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 49' ' ' SER . 15.0 p -67.75 -29.81 69.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.2 t -66.37 -49.53 66.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -77.61 -21.23 52.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.401 ' HA ' ' CG2' ' A' ' 58' ' ' THR . 78.6 mtt180 -82.97 -23.98 33.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.486 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 48.1 t-105 -80.53 -35.48 34.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -80.22 -30.2 38.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.401 ' CG2' ' HA ' ' A' ' 55' ' ' ARG . 14.1 t -75.03 -27.69 60.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.556 ' HE1' ' CE2' ' A' ' 67' ' ' PHE . 5.3 mtm -64.97 128.09 34.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.2 m -68.25 168.37 12.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.07 -49.29 66.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -48.64 -38.2 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -70.9 -44.35 66.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 71.0 mttt -69.02 -25.42 64.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -38.93 -67.72 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.4 pttm -56.74 -37.51 71.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.556 ' CE2' ' HE1' ' A' ' 59' ' ' MET . 33.5 m-85 -67.08 -23.16 65.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -78.33 -47.37 17.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -70.63 -55.82 7.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.7 ptp -48.65 -31.56 6.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.73 75.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -55.85 -37.53 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.61 -38.02 30.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LYS . 13.0 t70 -42.28 -46.85 4.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' ASP . 22.5 tttm -37.82 -42.84 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.97 -64.54 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -12.47 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.661 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -69.89 -30.19 67.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -83.31 -37.23 23.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -67.51 -32.91 74.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 82' ' ' MET . 24.2 mm-40 -54.18 -47.58 71.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.483 ' CE ' ' HG2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -38.06 -37.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.529 ' CG ' ' N ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -51.83 -49.64 62.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.529 ' N ' ' CG ' ' A' ' 83' ' ' LYS . 11.1 t -86.94 14.23 7.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.489 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 15.3 t80 -40.29 156.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.489 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 20.3 mt -140.54 111.34 6.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.639 0.733 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 160.29 50.23 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -170.58 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.724 2.283 . . . . 0.0 112.318 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -46.73 97.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -134.39 -28.71 0.46 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.447 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -140.15 179.42 6.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.951 0.405 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.2 m -61.05 121.35 12.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -142.85 -176.62 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.24 -26.51 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.34 151.26 21.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -108.58 151.97 25.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -107.07 -179.45 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -118.37 80.99 16.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.54 0.686 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -10.19 27.91 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -70.82 -39.74 72.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.99 140.7 3.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.571 0.701 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 138.59 38.2 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.324 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -80.2 162.07 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -88.14 141.29 30.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.557 0.694 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 169.7 18.33 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.73 2.287 . . . . 0.0 112.331 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.502 ' HB2' ' CD1' ' A' ' 110' ' ' PHE . 54.0 Cg_endo -69.74 171.12 15.02 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.695 2.263 . . . . 0.0 112.356 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.3 p -115.11 178.73 4.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.62 -37.44 63.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.49 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 3.0 t80 -62.75 -48.34 79.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.502 ' CD1' ' HB2' ' A' ' 106' ' ' PRO . 4.0 t80 -58.7 -45.87 88.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.8 mt -60.11 -46.01 91.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.586 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -64.34 -49.66 70.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.404 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.7 p -61.8 -29.46 70.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.9 t -76.47 -16.26 59.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -101.44 -15.83 17.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.412 ' HA ' ' HB3' ' A' ' 119' ' ' LYS . 6.8 m-85 -103.89 -44.18 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.572 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 6.4 ttt180 -38.28 -55.21 2.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.617 0.723 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.6 Cg_endo -69.71 -28.06 25.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 116' ' ' TYR . 7.8 tttt -70.68 -55.45 8.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 21.2 pt -67.58 -32.43 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -56.9 -46.98 81.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -66.69 -35.22 89.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -45.07 71.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.428 ' CG ' HD13 ' A' ' 127' ' ' LEU . 68.7 m-70 -108.55 93.32 11.61 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 0.1 6.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -100.84 -35.76 4.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.436 HD21 ' CB ' ' A' ' 131' ' ' ASP . 23.2 mt -50.58 127.71 18.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 131' ' ' ASP . 4.3 m -96.15 155.92 16.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 39.7 mt -40.39 -35.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -66.58 -39.26 93.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 134' ' ' LYS . 1.6 m-20 -79.93 -61.63 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 131' ' ' ASP . 72.4 t -32.75 -34.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 131' ' ' ASP . . . -77.88 -46.24 21.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 131' ' ' ASP . 8.6 ptpt -56.33 -35.07 67.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 42.1 mttt -68.87 -27.5 65.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.7 mt -82.88 -35.74 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -55.87 -39.73 78.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.471 ' O ' ' ND2' ' A' ' 142' ' ' ASN . 11.1 pt-20 -89.17 -41.95 11.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 110.83 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 13.3 mmm -43.52 -49.96 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.586 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 7.5 t-105 -59.73 -52.54 65.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -48.36 -43.67 33.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 138' ' ' GLU . 45.3 m-80 -72.79 -36.0 67.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 22.1 m -52.2 125.93 17.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.54 165.58 9.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.078 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.48 -32.22 72.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.95 -49.17 77.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -58.83 -12.47 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.488 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 84.9 mttt -99.86 20.86 13.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.513 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.8 tt0 -67.57 -58.15 8.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.624 0.726 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.74 -14.91 36.82 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.297 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -92.73 -52.96 4.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.61 -54.41 43.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -58.95 -41.38 87.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 150' ' ' PRO . 6.4 mmmt -57.11 -58.71 7.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -48.41 -40.13 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -48.34 -47.72 36.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -58.48 -45.01 89.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.28 -45.01 94.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -47.29 -34.15 6.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -57.96 -42.42 84.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -63.52 -20.16 65.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -91.21 -52.37 4.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -56.62 -31.96 64.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -75.33 -41.64 56.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -66.09 -51.65 56.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 10.0 tt -62.26 -22.24 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -60.81 -35.79 77.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -84.44 -34.26 23.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -47.04 -59.81 2.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -64.47 -40.04 94.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -166.51 113.38 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -57.36 123.88 16.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -167.33 162.98 15.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 m -41.11 -48.44 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.98 -110.36 2.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -63.96 142.57 58.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.9 p -45.57 -46.92 14.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.2 78.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.9 ttp -69.31 111.47 5.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.05 112.05 1.56 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -114.99 -39.1 3.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 12' ' ' ASP . . . -142.32 -130.89 2.54 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 11' ' ' GLY . 0.5 OUTLIER 32.62 55.0 1.13 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 12' ' ' ASP . 53.6 Cg_endo -69.76 -4.18 13.5 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.734 2.289 . . . . 0.0 112.32 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -81.49 -47.04 13.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -44.41 119.06 3.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.604 0.716 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 149.5 67.22 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -145.03 160.16 41.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.83 -46.19 0.84 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 43.0 mtmt -40.29 108.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.769 0.319 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 19.3 mtp -113.09 143.75 43.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 22' ' ' SER . 4.4 t -86.32 163.8 17.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 21' ' ' SER . 3.7 m -36.36 -62.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -54.76 -58.72 6.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.975 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.36 -39.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 4.1 m-85 -81.06 -59.81 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.554 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -42.5 -44.26 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.0 t -56.78 -35.46 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -89.35 -15.49 33.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 m -77.86 -29.15 50.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 p -82.35 -47.88 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 7.8 ptm180 -47.39 -44.35 24.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.449 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 19.7 mt-10 -61.65 -43.02 99.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -57.75 -33.45 68.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' LYS . 8.7 t60 -68.08 -58.65 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.472 ' HE2' ' N ' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -42.1 -25.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.931 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 34' ' ' HIS . 18.6 mmtp -80.08 -42.29 23.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' HIS . 4.3 mmpt? -71.23 -45.41 63.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 9.1 m-70 -134.23 93.49 19.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.711 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.79 -49.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -59.72 -33.89 72.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.4 122.57 21.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.2 p -99.38 71.06 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.7 p -42.72 125.1 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.9 136.24 56.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -68.49 -58.89 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.0 m -44.64 -48.65 10.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -66.49 -51.27 58.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -41.38 -40.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.1 t -45.75 -53.19 9.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -52.4 -28.59 20.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -73.38 -55.01 6.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.0 m -54.98 -36.77 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.6 p -66.89 -57.7 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -58.84 -22.5 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.7 -41.53 14.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.499 ' CD2' ' HE2' ' A' ' 64' ' ' LYS . 74.0 t-105 -67.9 -36.15 79.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 58' ' ' THR . 13.9 ptmt -72.12 -42.6 65.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.465 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 15.2 t -74.64 -40.92 61.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.4 mtm -50.05 122.49 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 p -76.38 175.39 9.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.28 -38.45 65.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 19.0 pttp -52.27 -44.53 65.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 62' ' ' LYS . 5.6 mm-40 -72.32 -58.35 3.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.499 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 71.2 mttt -53.01 -30.1 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.38 -78.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 46.7 pttt -41.51 -49.82 3.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 14.0 m-85 -54.22 -39.49 66.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.72 -34.67 77.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -73.89 -37.86 64.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.6 mtm -69.09 -48.55 62.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.68 87.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 10.0 ptmt -70.23 -35.63 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -57.14 -37.02 71.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.45 ' OD1' ' C ' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -71.97 -33.78 68.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -52.49 -27.14 15.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.65 -61.6 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.058 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.4 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 1.5 ppt_? -50.42 -27.63 6.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.508 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 3.5 t80 -67.03 -39.01 86.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 80' ' ' ARG . 38.2 mt-10 -43.39 -39.32 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 79' ' ' GLU . 3.1 tmt_? -34.5 -47.7 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.03 -55.74 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.8 ttm -45.05 -25.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -70.98 -46.03 63.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.2 p -69.24 -29.0 66.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -83.78 151.3 25.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 mt -134.81 99.21 12.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.653 0.739 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.26 22.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 169.41 18.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -52.08 109.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -136.93 179.78 17.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -84.6 164.21 18.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.935 0.398 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 29.6 m -162.66 160.45 25.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.38 157.73 17.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -148.7 133.89 18.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -137.57 133.4 34.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.9 p90 -109.71 113.66 26.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -141.11 152.15 44.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -109.03 72.43 0.48 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.75 37.35 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -70.28 -40.75 74.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -40.22 126.72 1.71 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.567 0.699 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.21 54.22 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.49 144.82 29.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.63 138.02 74.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 164.99 32.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.307 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 163.36 38.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 110' ' ' PHE . 68.4 m -118.34 157.68 26.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -36.07 -55.13 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.081 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.57 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 8.1 t80 -53.4 -37.87 62.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 107' ' ' SER . 10.4 t80 -69.77 -54.18 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 41.0 mt -50.31 -49.14 54.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.458 ' CE2' ' CZ ' ' A' ' 116' ' ' TYR . 2.1 t80 -60.41 -56.15 24.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.419 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.9 p -57.5 -29.57 64.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.0 t -73.18 -22.45 60.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -94.76 -21.61 18.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.458 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 4.7 m-85 -94.28 -22.13 18.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.629 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 7.3 ttp180 -52.55 -52.04 67.45 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.76 -4.33 13.8 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -98.83 -37.88 9.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.9 pt -89.58 -36.85 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -56.66 -42.45 78.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -71.4 -35.6 63.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -70.76 -43.73 68.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.382 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.436 ' CG ' HD13 ' A' ' 127' ' ' LEU . 21.9 m-70 -112.28 91.34 16.04 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.632 0.729 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -18.08 37.27 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.644 2.229 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.01 -41.11 10.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.436 HD13 ' CG ' ' A' ' 124' ' ' HIS . 48.6 mt -48.06 127.48 12.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 129' ' ' ILE . 10.3 p -96.25 159.34 15.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 128' ' ' SER . 69.5 mt -36.27 -44.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.05 -54.43 33.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 132' ' ' VAL . 45.3 m-20 -63.77 -59.21 4.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.824 0.345 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 131' ' ' ASP . 91.6 t -35.8 -39.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.37 -51.28 70.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.27 -38.19 39.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -61.51 -26.96 68.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.6 mt -91.18 -32.64 15.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.04 -38.75 77.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 139' ' ' MET . 12.0 pt-20 -80.96 -47.38 13.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.444 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 25.0 mtt -39.46 -57.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.57 ' CD1' ' HB2' ' A' ' 109' ' ' PHE . 2.1 t-105 -55.48 -41.5 73.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -65.92 -24.25 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -100.39 28.36 5.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 16.3 m -113.99 150.35 33.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -92.25 153.13 19.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.105 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -51.24 -41.97 60.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.28 -30.95 69.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.84 12.39 7.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -125.07 -16.86 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.629 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 3.0 tp60 -45.43 -51.64 25.96 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.58 0.705 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.5 Cg_endo -69.76 -38.4 7.86 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.3 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -66.8 -25.22 66.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -93.81 -61.2 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -40.66 -38.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -72.05 -47.36 52.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.48 77.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -48.22 -49.21 33.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -48.58 -42.77 34.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 17.4 mt -72.34 -32.41 66.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -59.34 -43.71 92.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -49.74 -46.42 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -61.38 -46.73 88.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -57.82 -57.96 10.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -47.45 -37.92 12.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -70.97 -46.9 61.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -59.5 -53.45 57.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 6.2 tt -64.43 -42.46 95.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -38.59 -36.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -78.09 -43.73 28.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -50.16 -52.2 37.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -64.98 -40.79 95.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -166.47 110.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -65.4 89.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 m -62.72 174.17 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 110.818 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -72.9 163.88 27.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.76 44.35 1.27 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -139.83 144.7 37.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -86.71 11.38 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.95 74.24 0.4 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 ptp -55.05 -47.75 74.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.1 99.86 2.37 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -97.41 -46.11 6.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.333 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.16 82.46 0.28 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -88.17 139.35 30.47 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.59 0.709 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -8.05 22.62 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.654 2.236 . . . . 0.0 112.351 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -89.5 -45.26 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -51.77 120.71 16.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.564 0.697 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 96.12 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.641 2.227 . . . . 0.0 112.383 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -68.22 152.54 45.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.47 -39.09 0.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.545 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 24.7 mttt -51.43 135.42 27.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.71 0.291 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.556 ' HE2' ' CD1' ' A' ' 25' ' ' PHE . 8.7 mtm -124.35 173.99 8.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.1 m -105.22 176.43 5.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.8 p -48.43 -57.3 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.467 ' CD1' ' CG ' ' A' ' 56' ' ' TRP . 46.4 t80 -62.46 -55.39 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.66 -36.57 7.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.072 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.556 ' CD1' ' HE2' ' A' ' 20' ' ' MET . 8.7 m-85 -80.4 -49.17 11.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.511 ' CE1' ' SD ' ' A' ' 59' ' ' MET . 0.5 OUTLIER -51.63 -28.99 16.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.51 -29.99 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -92.12 -23.86 19.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -71.11 -24.03 62.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 95.8 m -91.64 -37.38 13.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 7.9 ptm180 -65.04 -43.39 92.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 31.5 mt-10 -66.83 -45.87 76.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -64.41 -30.91 71.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' LYS . 39.0 t60 -63.55 -70.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -38.99 -26.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -76.54 -42.24 43.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' HIS . 32.9 mmtt -82.04 -47.91 12.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . 33.1 m-70 -134.51 93.22 18.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 0.0 110.821 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -46.91 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -100.94 36.92 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.458 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . . . -83.68 30.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.5 t 41.63 47.24 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.9 p -79.24 128.19 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -103.74 136.66 43.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -67.1 -44.56 79.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -60.27 -43.78 95.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -67.4 -52.7 36.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -49.34 -35.82 19.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.2 t -63.11 -52.54 62.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -68.19 -32.01 71.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -67.9 -43.49 79.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.7 m -58.67 -35.65 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.4 t -66.21 -58.36 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.89 -17.04 62.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.4 mtt85 -92.49 -23.97 18.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.479 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 59.3 t-105 -83.32 -34.29 25.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -23.47 58.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.9 t -91.05 -28.44 17.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.511 ' SD ' ' CE1' ' A' ' 26' ' ' PHE . 13.9 mtp -57.04 111.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 t -52.95 161.16 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.09 -38.99 55.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -57.03 -39.57 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -70.35 -41.48 73.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 80.5 mttt -71.46 -26.63 62.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.53 -67.48 1.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -50.43 -37.53 38.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.497 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 29.4 m-85 -70.19 -27.22 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.93 -37.41 62.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -75.94 -56.06 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.497 ' HE2' ' CD1' ' A' ' 67' ' ' PHE . 9.6 ptp -53.32 -38.15 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.07 92.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -67.08 -30.82 70.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.8 -23.86 67.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 75' ' ' LYS . 2.0 p-10 -60.6 -24.59 65.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.461 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 2.9 ptmm? -54.57 -21.54 10.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.02 -64.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -47.77 -22.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.545 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -78.06 -35.05 50.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -57.39 -20.82 32.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 80' ' ' ARG . 13.2 mtp-105 -54.14 -38.33 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -73.84 -25.49 60.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.6 mtp -70.32 -8.53 51.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -73.65 -47.75 37.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.9 t -72.7 -6.72 46.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -50.26 120.22 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 38.8 mt -122.58 105.21 36.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 169.84 17.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 168.33 21.89 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -62.35 116.8 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 175.43 42.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -57.48 120.52 8.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.931 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.2 p -63.62 127.82 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -113.43 41.78 2.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -49.57 162.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -121.36 31.46 6.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -164.22 142.65 7.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -112.16 160.46 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.79 79.1 5.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.707 . . . . 0.0 110.83 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -16.23 37.32 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.42 -41.99 72.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.65 131.89 85.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.563 0.697 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 171.02 15.21 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.557 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -118.37 172.01 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.92 135.18 20.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 164.35 34.88 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.348 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 169.35 19.07 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.355 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 110' ' ' PHE . 3.7 p -112.15 154.73 25.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -35.38 -46.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.591 ' CE1' ' SG ' ' A' ' 113' ' ' CYS . 12.7 t80 -64.5 -44.66 90.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 107' ' ' SER . 27.6 t80 -63.06 -44.3 96.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.5 mt -56.16 -61.97 2.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.557 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 0.6 OUTLIER -50.16 -45.65 53.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.591 ' SG ' ' CE1' ' A' ' 109' ' ' PHE . 89.8 m -61.96 -42.7 99.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 t -67.29 -8.52 32.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -99.3 -35.02 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.466 ' C ' ' HD2' ' A' ' 118' ' ' PRO . 2.8 m-85 -86.6 -34.97 19.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.602 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 7.9 ttt180 -35.51 -53.29 1.32 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.1 Cg_endo -69.73 -31.81 19.9 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 116' ' ' TYR . 0.0 OUTLIER -74.78 -24.99 58.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 121' ' ' LYS . 47.2 pt -97.53 -33.46 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.41 ' N ' HG13 ' A' ' 120' ' ' ILE . 35.9 ttpt -60.63 -54.07 49.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -56.28 -24.74 46.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -85.18 -51.28 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.385 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -111.62 88.68 9.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -11.74 31.43 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.258 . . . . 0.0 112.36 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -80.11 -43.4 9.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 92.6 mt -56.87 135.89 55.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.9 t -109.33 176.98 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 39.0 mt -44.75 -41.36 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.11 -58.65 9.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 132' ' ' VAL . 66.1 m-20 -65.22 -61.28 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' ASP . 43.4 t -33.85 -50.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.6 -49.59 61.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 131' ' ' ASP . 1.4 tmtp? -53.38 -35.64 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -68.96 -23.31 64.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 21.0 mt -93.01 -24.2 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.77 -43.09 96.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -70.26 -45.95 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 15.6 mtm -49.22 -46.11 45.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.557 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 2.1 t-105 -61.67 -40.01 93.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -63.49 -41.46 98.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -76.37 -34.36 58.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.4 m -52.84 129.82 31.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.6 145.14 52.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.72 -47.09 67.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -40.22 62.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.17 -22.47 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.522 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 43.7 mttt -86.86 2.56 48.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.493 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.0 tt0 -47.96 -59.45 5.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.706 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.5 Cg_endo -69.74 -18.3 37.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 112' ' ' PHE . 14.7 m-85 -84.06 -28.93 27.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -92.72 -55.21 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -45.76 -40.76 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.65 -47.53 63.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.877 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.29 -11.33 2.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -81.51 -69.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -46.43 -41.85 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.6 -36.68 84.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -70.69 -27.53 64.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -66.2 -47.89 72.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -64.8 -12.31 46.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 103' ' ' LYS . 11.8 t80 -89.87 -67.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -49.69 -36.5 25.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.403 ' C ' ' HD3' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -70.04 -40.99 74.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -67.36 -54.97 15.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.423 HG21 ' N ' ' A' ' 167' ' ' ALA . 7.5 tt -63.71 -23.62 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.423 ' N ' HG21 ' A' ' 166' ' ' ILE . . . -61.07 -20.26 62.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -101.45 -28.18 12.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -59.39 -46.46 88.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -80.05 -39.35 29.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -113.65 81.15 1.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -65.2 141.97 58.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m 62.79 42.86 7.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -128.36 176.46 7.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.98 -115.03 0.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 p -108.46 135.81 49.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -118.62 89.42 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.53 108.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.2 mtm -115.92 142.69 46.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.32 121.94 3.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -103.26 -28.55 11.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.42 -146.92 16.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -57.53 143.43 74.99 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.585 0.707 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -2.4 10.09 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -49.8 23.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.496 ' HG3' ' CZ ' ' A' ' 85' ' ' TYR . 35.1 ttmt -47.84 114.07 3.04 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.552 0.692 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.564 ' HD2' ' CD2' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.73 145.59 57.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -93.82 24.15 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.74 -156.42 22.49 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 2.7 mtmp? -92.91 -175.68 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.453 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 40.8 mtp -128.18 147.5 50.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -97.1 164.61 12.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.452 ' HB2' ' CH2' ' A' ' 56' ' ' TRP . 3.5 p -42.78 -43.68 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.559 ' CE2' HG21 ' A' ' 27' ' ' VAL . 51.9 t80 -67.46 -58.0 5.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.06 -36.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 3.6 m-85 -86.78 -40.59 14.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -60.43 -28.58 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.559 HG21 ' CE2' ' A' ' 23' ' ' TYR . 62.0 t -78.88 -28.52 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -92.07 -20.1 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.1 m -84.74 -54.34 4.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.3 m -61.89 -20.42 63.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 8.9 ptm180 -86.45 -45.66 10.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 0.6 OUTLIER -66.56 -40.51 89.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.56 -41.36 85.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 37' ' ' LYS . 25.1 t60 -55.79 -60.4 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -41.81 -28.8 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -87.05 -33.24 19.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.0 mmpt? -71.72 -35.26 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.445 ' CD2' ' HB3' ' A' ' 37' ' ' LYS . 9.2 m-70 -155.52 105.07 2.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 110.856 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -44.14 2.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -53.76 -40.08 65.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -55.54 114.75 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' VAL . 5.0 t -95.97 49.71 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' SER . 2.8 p -37.87 137.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.428 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 23.2 m-20 -82.47 108.35 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 3.1 p90 -46.84 -21.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 t -86.61 -40.12 15.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 48' ' ' PHE . 8.5 pt-20 -72.99 -47.52 44.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.479 ' N ' ' CG ' ' A' ' 47' ' ' GLU . 30.8 t80 -52.53 -41.83 63.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' CYS . 16.1 t -63.5 -69.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -40.73 -25.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' SER . 11.2 tttt -82.21 -42.22 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' SER . 4.8 m -48.35 -29.42 3.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.5 t -61.85 -72.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -13.12 61.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.423 ' C ' HG23 ' A' ' 58' ' ' THR . 18.7 ttt-85 -85.31 -24.42 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.554 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 16.3 t-105 -81.66 -47.21 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -64.89 -45.5 85.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.423 HG23 ' C ' ' A' ' 55' ' ' ARG . 8.5 t -49.74 -37.4 29.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.7 mtm -52.53 161.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.5 m -103.75 155.86 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.5 -34.68 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -47.97 81.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.16 -31.61 72.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 87.8 mttt -82.02 -25.07 35.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -43.61 -65.86 1.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.435 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -51.7 -42.46 62.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 12.0 m-85 -64.2 -30.25 71.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -79.79 -36.49 37.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -72.65 -27.51 62.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.789 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.0 ptp -81.78 -27.55 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.58 -41.6 19.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -57.44 -38.01 73.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.66 -22.01 54.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.8 -6.25 59.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 75' ' ' LYS . 4.6 tmtm? -79.71 -13.74 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -116.04 -32.08 5.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.34 -19.38 62.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 1.9 p90 -67.58 -29.53 68.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -60.88 -35.74 77.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.9 ttp85 -60.06 -48.34 82.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.06 -30.55 26.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.9 mtp -57.57 -11.89 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -78.2 -36.93 46.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.3 t -83.58 -0.78 51.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.612 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -92.8 103.23 15.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.0 mt -112.51 98.57 44.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.517 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.81 169.82 18.08 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 89' ' ' LYS . 53.6 Cg_endo -69.77 -179.77 3.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 88' ' ' PRO . 8.8 tptm -34.1 99.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.25 -83.62 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -120.55 175.84 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.387 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.9 p -140.92 122.55 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -124.66 162.22 24.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -122.15 134.13 54.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -113.55 158.14 21.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -96.37 176.98 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -123.76 149.02 46.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -130.06 100.8 18.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.882 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -38.76 7.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.23 . . . . 0.0 112.367 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.587 ' O ' ' CE1' ' A' ' 169' ' ' TYR . 15.9 m-80 -87.24 24.03 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.96 163.57 24.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.457 ' HG2' ' CE1' ' A' ' 162' ' ' TYR . 53.4 Cg_endo -69.81 161.7 44.93 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.719 2.279 . . . . 0.0 112.301 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 22.8 mtmt -70.18 163.8 25.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -96.34 147.03 32.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.554 0.692 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 166.7 26.67 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 155.45 65.72 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.374 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 110' ' ' PHE . 25.5 p -111.36 160.38 17.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -35.31 -42.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.518 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 9.0 t80 -61.39 -46.81 88.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 107' ' ' SER . 17.3 t80 -61.32 -47.21 86.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.1 mt -54.55 -46.58 73.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 113' ' ' CYS . 1.1 t80 -67.83 -60.32 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.547 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.5 p -50.81 -30.4 14.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.2 t -83.3 -27.81 29.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.445 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -81.31 -27.11 35.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.534 ' CD2' ' HD3' ' A' ' 119' ' ' LYS . 3.1 m-85 -93.33 -31.42 14.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.613 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 6.9 ttt180 -36.0 -53.31 1.54 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.4 Cg_endo -69.77 -32.96 17.51 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.26 . . . . 0.0 112.33 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.534 ' HD3' ' CD2' ' A' ' 116' ' ' TYR . 6.3 ptmt -74.57 -23.07 58.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 121' ' ' LYS . 45.5 pt -96.14 -34.76 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.449 ' N ' HG13 ' A' ' 120' ' ' ILE . 0.0 OUTLIER -57.38 -53.91 52.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.793 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -56.43 -36.48 70.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -71.75 -44.25 64.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.457 ' CB ' HD11 ' A' ' 127' ' ' LEU . 17.0 m-70 -115.24 89.8 22.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.59 0.709 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -18.15 37.06 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.262 . . . . 0.0 112.34 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -78.06 -45.03 10.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.457 HD11 ' CB ' ' A' ' 124' ' ' HIS . 72.4 mt -56.53 130.19 44.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' ILE . 77.6 p -106.23 170.06 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.81 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' SER . 94.2 mt -35.22 -45.36 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -58.69 -61.56 7.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 134' ' ' LYS . 30.5 m-20 -65.62 -58.45 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' ASP . 93.5 t -35.3 -39.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.36 -44.18 62.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 131' ' ' ASP . 5.9 mmmm -61.16 -19.01 61.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -85.01 -25.56 27.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.3 mt -92.81 -20.49 20.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.33 -39.4 95.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -80.0 -44.01 20.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 4.5 mtt -42.14 -47.51 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.518 ' CD1' ' HB2' ' A' ' 109' ' ' PHE . 4.7 t-105 -63.91 -46.87 82.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -52.91 -34.26 54.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -102.28 31.51 3.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 45.9 m -107.73 134.67 50.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.43 140.81 46.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -51.45 -39.17 56.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -37.37 73.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -69.59 -19.51 63.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 152' ' ' GLU . 64.7 mttt -90.73 2.64 55.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.499 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.1 tt0 -48.63 -59.24 6.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.8 Cg_endo -69.76 -27.32 26.61 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -80.95 -20.54 41.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 148' ' ' LYS . 8.8 mt-10 -93.29 -54.45 3.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -54.28 -48.87 70.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -55.68 -57.02 13.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -38.66 -38.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -51.67 -64.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -41.3 -61.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 79.7 mt -45.0 -40.92 6.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -44.27 -40.55 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -50.36 -48.74 55.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -51.51 -29.5 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 103' ' ' LYS . 55.4 t80 -86.92 -53.61 4.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -51.32 -33.66 30.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -77.65 -42.08 36.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -65.99 -30.5 71.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 15.0 tt -84.18 -38.41 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.452 ' HA ' ' CZ ' ' A' ' 170' ' ' ARG . . . -47.97 -21.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -97.03 -25.09 15.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 100' ' ' ASN . 2.6 t80 -61.19 -49.01 78.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 171' ' ' ALA . 0.0 OUTLIER -91.04 -28.81 17.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.47 ' N ' ' HG2' ' A' ' 170' ' ' ARG . . . -133.96 67.56 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.057 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.11 -31.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -115.08 171.49 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -64.49 -48.89 73.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.8 -174.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -150.6 147.6 27.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.913 0.387 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 p -40.53 157.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.67 114.95 0.34 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.9 ptm -102.71 167.04 10.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.08 99.6 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.56 25.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.96 86.25 0.65 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -107.82 150.5 40.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 2.09 3.86 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.28 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 15' ' ' LYS . 26.9 mmmt -63.86 -47.77 79.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' LYS . 11.4 tptm -34.15 132.03 0.4 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.561 0.696 . . . . 0.0 110.913 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.54 63.36 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.738 2.292 . . . . 0.0 112.371 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -106.53 39.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.93 -76.95 0.17 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.438 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.572 ' HE3' ' CE2' ' A' ' 78' ' ' TYR . 7.2 pttp -38.09 149.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.553 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 34.2 mtp -139.84 145.87 38.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -71.23 166.66 21.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.3 p -43.28 -52.17 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -66.33 -57.39 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.43 -42.87 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.553 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 2.3 m-85 -77.58 -61.59 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.454 ' CE1' ' SD ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -40.74 -48.5 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.6 t -46.98 -38.8 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 6.6 tt0 -88.18 -41.66 12.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 m -47.28 -37.76 11.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.7 m -77.02 -48.62 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' N ' ' CZ ' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -55.09 -33.44 62.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.842 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -75.01 -52.34 11.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -50.96 -40.21 57.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LYS . 20.7 t60 -60.91 -69.79 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' HIS . 2.3 mptm? -36.36 -32.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -73.5 -49.51 26.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 34' ' ' HIS . 52.2 mmtt -66.56 -43.98 83.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -134.17 94.03 18.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.588 0.709 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -47.34 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.734 2.289 . . . . 0.0 112.325 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -59.84 -38.46 82.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.57 132.47 21.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 t -100.88 99.8 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -94.97 117.79 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.419 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 11.2 m-80 -63.84 151.88 41.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -76.94 -39.3 51.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 t -72.7 -40.22 66.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' A' ' 48' ' ' PHE . 9.4 pt-20 -62.14 -46.17 90.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.485 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 5.1 t80 -66.18 -32.79 74.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 t -72.37 -62.98 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -50.32 -37.11 35.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' SER . 30.1 mttp -71.69 -56.52 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' LYS . 4.8 m -36.37 -30.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' LYS . 35.8 t -65.57 -71.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.45 -22.52 65.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -80.56 -29.31 37.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.476 ' CZ2' ' HD3' ' A' ' 64' ' ' LYS . 13.5 t-105 -76.2 -40.13 52.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -66.91 -45.2 78.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.8 t -58.2 -35.33 71.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.454 ' SD ' ' CE1' ' A' ' 26' ' ' PHE . 28.1 mtp -50.43 127.87 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.5 p -65.77 165.02 13.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.41 -38.7 69.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.483 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 33.0 pttt -60.89 -38.26 85.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.483 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 6.6 mm-40 -69.08 -42.48 76.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.476 ' HD3' ' CZ2' ' A' ' 56' ' ' TRP . 79.0 mttt -72.26 -34.48 68.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -39.61 -71.57 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.441 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -43.77 -52.72 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.423 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 23.2 m-85 -52.32 -42.37 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.87 -48.15 82.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.04 -39.48 78.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.4 mtm -66.73 -55.44 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.16 -51.36 68.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 25.7 pttt -59.58 -43.84 93.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -61.81 -39.28 91.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.064 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.64 -35.05 67.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -45.25 -28.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.35 -68.38 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 78' ' ' TYR . 1.2 ppt_? -43.49 -37.39 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.572 ' CE2' ' HE3' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -48.85 -45.41 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -41.14 -31.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 81' ' ' GLU . 11.0 ptm180 -53.61 -46.38 70.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 6.4 mm-40 -49.7 -38.04 31.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.478 ' O ' ' CB ' ' A' ' 85' ' ' TYR . 30.1 tpp -36.88 -44.0 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -41.43 -51.2 3.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.2 p -62.16 -29.04 70.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 82' ' ' MET . 2.7 t80 -40.96 137.69 1.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.422 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 19.7 mt -132.1 101.85 14.84 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.659 0.742 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.41 18.97 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 170.51 16.38 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -55.61 102.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.3 159.82 23.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.82 139.17 46.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.384 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 34.5 p -146.29 155.34 42.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -90.33 155.07 19.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -106.14 143.62 34.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -110.7 177.55 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -118.74 109.21 15.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -144.13 162.44 36.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.24 110.84 4.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.731 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 100' ' ' ASN . 53.8 Cg_endo -69.76 -50.12 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.327 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 101' ' ' ALA . 59.8 m-80 -38.25 -51.49 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 100' ' ' ASN . . . -33.59 128.37 0.41 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.535 0.683 . . . . 0.0 111.09 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 130.62 19.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.314 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.502 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -75.84 -175.4 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.16 148.82 38.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.561 0.696 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.55 24.1 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 142.87 48.74 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.85 165.84 12.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.51 -45.53 3.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.54 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 19.6 t80 -58.64 -42.68 88.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' A' ' 114' ' ' SER . 25.7 t80 -68.81 -45.81 70.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.99 -37.09 78.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.585 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -74.1 -56.73 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.544 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 4.9 p -61.43 -31.2 71.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 84.5 p -69.06 -24.15 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -95.51 -21.95 17.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.575 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.2 m-85 -89.22 -36.65 15.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.627 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 15.9 ttp180 -41.34 -52.21 7.81 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.72 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.5 Cg_endo -69.81 -19.99 35.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.316 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 116' ' ' TYR . 26.7 mtmt -81.14 -46.79 14.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.445 HD11 ' CG1' ' A' ' 132' ' ' VAL . 11.6 pt -75.77 -44.11 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.166 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.468 ' CD ' ' HA ' ' A' ' 118' ' ' PRO . 17.0 ptmt -40.09 -37.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.435 ' N ' ' HG3' ' A' ' 121' ' ' LYS . . . -78.98 -49.66 6.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.532 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -55.64 -42.8 75.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -113.42 96.97 41.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.36 37.01 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -78.07 -47.86 8.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 132' ' ' VAL . 41.2 mt -48.65 116.19 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.326 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 129' ' ' ILE . 1.0 OUTLIER -89.07 166.5 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 128' ' ' SER . 34.6 mt -36.95 -48.1 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.33 -65.96 2.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 132' ' ' VAL . 0.9 OUTLIER -48.57 -59.26 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 127' ' ' LEU . 93.0 t -35.04 -56.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -55.95 -53.72 53.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 134' ' ' LYS . 0.9 OUTLIER -50.51 -30.68 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 138' ' ' GLU . 3.9 tppp? -68.26 -33.48 74.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.84 -15.64 60.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.91 -47.76 89.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 139' ' ' MET . 2.2 pm0 -78.94 -35.38 43.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.435 ' N ' ' HG2' ' A' ' 138' ' ' GLU . 2.9 mtt -46.3 -45.32 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.585 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 2.0 t-105 -68.99 -44.95 71.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -53.87 -45.96 71.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -70.31 -40.02 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 144' ' ' ALA . 98.3 m -50.55 140.0 14.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.457 ' N ' HG23 ' A' ' 143' ' ' THR . . . -84.95 150.07 25.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -49.17 -46.11 44.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -47.14 -52.4 15.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.54 -24.15 44.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 140' ' ' TRP . 53.7 mttt -91.12 18.33 6.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.536 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.9 tt0 -67.34 -57.55 10.41 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.77 -33.33 16.75 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.373 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -68.17 -38.42 82.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 153' ' ' LYS . 58.3 mt-10 -78.54 -63.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 152' ' ' GLU . 43.9 mmtt -37.81 -58.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -50.87 -55.98 14.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.68 -45.41 58.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -45.69 -52.94 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -48.63 -57.8 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 159' ' ' LYS . 16.0 mt -47.19 -52.31 16.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 158' ' ' LEU . 18.8 ttpp -37.71 -54.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -38.46 -58.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -49.04 -46.28 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 103' ' ' LYS . 4.9 t80 -64.68 -55.88 17.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -45.52 -41.79 10.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 9.6 mmpt? -67.04 -56.38 10.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -48.81 -55.36 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 8.8 tt -60.96 -40.0 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -41.4 -43.82 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -79.53 -43.34 23.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -39.42 -58.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -74.06 -45.97 46.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -101.47 80.5 2.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -73.46 102.69 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 179.903 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -58.42 92.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.885 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -100.63 -51.91 3.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.58 114.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.427 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -141.02 121.27 13.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.862 0.363 . . . . 0.0 110.876 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -150.8 165.88 32.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.09 83.64 0.29 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.31 174.47 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.42 138.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -112.23 -44.08 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.16 92.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -38.87 152.29 0.18 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' LYS . 53.4 Cg_endo -69.83 -22.56 31.6 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HE3' ' N ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -35.29 -64.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -46.24 108.04 0.77 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.43 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -41.09 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.56 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . -172.85 -164.21 27.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 14.4 mtmm -84.34 173.18 11.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.497 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 23.5 mtp -132.14 141.88 49.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 m -89.7 177.23 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -47.52 -55.42 9.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.434 ' CE2' HG22 ' A' ' 27' ' ' VAL . 48.2 t80 -60.56 -62.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 23' ' ' TYR . . . -35.44 -42.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.102 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 5.7 m-85 -77.97 -60.93 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.495 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -41.57 -49.7 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.434 HG22 ' CE2' ' A' ' 23' ' ' TYR . 81.5 t -47.08 -36.97 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.164 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.61 -31.51 16.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.9 m -58.97 -22.49 60.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.1 m -93.09 -34.58 13.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 2.5 ptp180 -67.2 -38.41 85.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 45.6 mt-10 -69.89 -44.69 69.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -58.14 -41.04 82.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.448 ' CE1' ' HB1' ' A' ' 41' ' ' ALA . 10.1 t60 -62.56 -60.66 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -42.27 -28.02 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -81.74 -41.04 21.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.2 mmpt? -66.68 -39.33 88.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -153.84 105.99 2.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.693 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -53.87 -42.18 68.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.834 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.448 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -38.06 102.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -81.4 49.17 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -42.98 145.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' HB2' ' CG ' ' A' ' 47' ' ' GLU . 6.6 m-80 -82.89 103.59 12.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.479 ' CG ' ' N ' ' A' ' 46' ' ' SER . 8.0 p90 -48.83 -44.75 39.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 80.6 p -58.05 -39.8 79.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.407 ' CG ' ' HB2' ' A' ' 44' ' ' ASN . 21.3 mm-40 -73.76 -39.88 63.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -58.42 -17.12 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 t -84.54 -63.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -27.94 35.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -73.1 -55.69 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.2 m -41.1 -32.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -60.03 -70.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.19 -17.93 65.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -82.82 -27.55 30.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.499 ' CE2' ' HE2' ' A' ' 64' ' ' LYS . 9.8 t-105 -79.09 -45.95 19.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -64.59 -45.58 86.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.7 t -55.46 -43.0 75.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.3 mtm -41.96 130.65 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.462 ' HB3' ' CD ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -60.33 170.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.837 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.81 -53.31 59.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.546 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -52.92 -32.85 47.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.546 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 3.7 mm-40 -71.19 -32.42 68.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.499 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 72.8 mttt -81.68 -39.24 24.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -38.02 -69.58 0.33 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -43.15 -51.44 5.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.495 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 13.8 m-85 -55.62 -40.96 72.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -59.27 -34.43 72.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -75.23 -40.32 59.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.5 mtm -64.25 -49.81 70.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.56 -52.63 64.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -34.04 73.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.72 82.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.448 ' OD1' ' C ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -56.14 -36.96 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -43.75 -24.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 74' ' ' ASP . . . -89.02 -67.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.403 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 3.5 ppt_? -44.15 -27.39 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 22.3 t80 -67.46 -58.75 4.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -45.7 -42.54 11.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.6 tpp85 -53.92 -63.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -40.63 -47.92 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 23.7 ttm -68.56 -40.09 80.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.57 -54.77 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.7 t -74.15 -39.83 63.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -60.53 146.68 44.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.6 mt -140.79 105.46 6.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.603 0.716 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.52 21.35 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.722 2.282 . . . . 0.0 112.31 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' LYS . 54.2 Cg_endo -69.76 179.86 3.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' PRO . 3.6 tppp? -34.7 100.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -130.14 -105.63 1.13 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.9 pm0 -105.22 170.03 8.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.945 0.403 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.7 p -84.92 130.37 34.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -156.76 158.07 36.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.508 ' HD2' ' CZ ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -55.08 163.26 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -72.69 126.29 29.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.508 ' CZ ' ' HD2' ' A' ' 94' ' ' LYS . 47.6 m-85 -109.42 -178.93 3.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -41.95 157.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -107.56 80.08 0.89 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -16.19 37.63 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.705 2.27 . . . . 0.0 112.386 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.51 73.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 169' ' ' TYR . . . -104.11 152.29 39.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.076 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 123.9 10.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.681 2.254 . . . . 0.0 112.38 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -104.39 160.28 15.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 103' ' ' LYS . 4.8 ppt_? -33.95 145.62 0.15 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.616 0.722 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.94 17.73 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 160.42 49.76 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.71 2.273 . . . . 0.0 112.316 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.3 p -102.28 166.52 10.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.52 -40.9 39.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.47 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 10.8 t80 -59.69 -45.51 91.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.91 -47.11 87.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 66.7 mt -61.05 -40.76 94.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.633 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -68.26 -55.72 11.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.534 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.4 p -63.33 -30.86 71.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -69.41 -22.76 63.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -99.22 -15.53 18.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.562 ' CE2' ' HE2' ' A' ' 139' ' ' MET . 5.6 m-85 -95.1 -36.41 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.568 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 2.6 ttm180 -46.16 -55.86 12.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.4 Cg_endo -69.77 -4.62 14.4 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 120' ' ' ILE . 5.0 ttmm -98.08 -58.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.46 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 22.7 pt -62.4 -36.02 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.586 ' HZ1' ' N ' ' A' ' 122' ' ' GLY . 0.0 OUTLIER -56.89 -53.45 57.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.808 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.586 ' N ' ' HZ1' ' A' ' 121' ' ' LYS . . . -60.12 -48.65 85.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -61.27 -41.49 97.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.854 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -115.95 94.76 42.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.708 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -29.81 23.14 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.234 . . . . 0.0 112.309 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -56.05 -50.56 60.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 38.9 mt -51.6 -174.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 129' ' ' ILE . 8.1 t -165.5 169.36 15.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 128' ' ' SER . 53.9 mt -34.32 -41.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.29 -62.49 3.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 132' ' ' VAL . 0.8 OUTLIER -60.06 -59.36 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.843 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 131' ' ' ASP . 96.7 t -34.61 -54.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.52 -59.77 3.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.054 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -35.14 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -61.38 -39.65 91.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 113' ' ' CYS . 25.9 mt -82.47 -24.32 34.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.59 -41.26 99.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 139' ' ' MET . 6.8 pt-20 -85.76 -35.43 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.562 ' HE2' ' CE2' ' A' ' 116' ' ' TYR . 52.7 mtp -52.11 -58.72 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.633 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 8.6 t-105 -52.93 -46.03 67.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -52.84 -41.77 64.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -97.6 40.49 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.429 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 26.2 m -114.43 138.76 50.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.4 161.83 25.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.73 84.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.65 -51.88 58.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.429 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 29.7 t0 -57.66 -19.14 24.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.479 ' NZ ' ' CE2' ' A' ' 140' ' ' TRP . 53.7 mttm -98.87 15.93 23.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.523 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.0 tt0 -64.0 -58.15 15.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.565 0.697 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.78 -37.2 9.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.54 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 47.1 m-85 -65.7 -38.61 89.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -77.88 -64.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -38.67 -57.76 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -52.1 -53.45 42.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -44.61 -47.44 10.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -47.99 -45.78 32.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -60.97 -47.81 84.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 17.8 mt -49.57 -44.25 46.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -42.92 -55.87 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.77 -46.86 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -58.17 -32.59 68.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -71.83 -53.61 12.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -57.0 -32.25 65.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -75.13 -50.18 17.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -54.7 -49.72 70.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 5.8 tt -64.89 -37.08 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -47.32 -46.33 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 169' ' ' TYR . . . -86.87 -36.57 18.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 101' ' ' ALA . 72.7 t80 -37.08 -56.28 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -77.83 -42.68 32.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -80.46 50.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -53.34 -49.53 66.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 179.928 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 42.0 mtp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.763 0.315 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.6 p -95.33 -174.8 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 p -51.1 -55.66 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.48 ' CE2' HG21 ' A' ' 27' ' ' VAL . 43.8 t80 -59.19 -63.42 1.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.956 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -38.0 -33.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 5.3 m-85 -87.46 -39.36 15.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -61.72 -46.81 88.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.48 HG21 ' CE2' ' A' ' 23' ' ' TYR . 58.3 t -53.86 -32.62 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -92.34 -14.16 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.5 m -79.61 -24.95 41.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.1 m -88.63 -39.12 14.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -65.31 -41.49 93.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.83 -42.53 90.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.6 -31.51 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LYS . 3.4 t-80 -63.5 -55.5 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -39.4 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' HIS . 13.2 mmtp -81.95 -41.37 20.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' HIS . 23.9 mtmt -71.63 -44.73 63.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.767 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 42.5 m-70 -134.62 94.81 16.55 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.58 0.705 . . . . 0.0 110.816 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.6 Cg_endo -69.82 -50.77 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.303 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -90.62 31.72 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.767 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . . . -83.38 138.24 33.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.2 m -89.07 52.27 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 p -73.75 138.24 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -97.06 149.78 21.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -69.5 -43.2 73.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -65.35 -52.49 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -56.53 -34.47 67.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -77.32 -19.34 56.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.9 t -76.59 -67.75 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.797 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -47.47 -30.35 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -68.47 -53.04 26.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.472 ' SG ' HG13 ' A' ' 27' ' ' VAL . 57.7 m -49.7 -33.57 16.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -60.83 -71.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.442 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 11.9 pt-20 -63.99 -21.45 66.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.1 ttm-85 -78.79 -27.32 44.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.489 ' CE2' ' HE2' ' A' ' 64' ' ' LYS . 18.2 t-105 -79.04 -39.44 33.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 12.3 ptmm? -68.39 -48.3 65.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 59' ' ' MET . 11.7 t -55.25 -40.99 71.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.429 ' N ' HG23 ' A' ' 58' ' ' THR . 6.5 mtm -44.95 125.23 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.3 m -61.67 155.72 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.61 -46.94 10.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -52.84 -44.84 67.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.26 -41.98 97.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.489 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 68.0 mttt -68.44 -36.01 78.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -38.81 -70.5 0.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HE2' ' CE2' ' A' ' 67' ' ' PHE . 18.3 pttm -46.21 -48.23 17.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.4 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 34.3 m-85 -58.89 -27.77 65.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.66 -45.22 17.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -64.99 -35.11 80.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.9 ptp -75.31 -31.45 60.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.17 -46.22 61.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 20.9 pttt -60.29 -35.99 76.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.476 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -57.1 -30.84 64.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.07 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.551 ' HB3' ' CD2' ' A' ' 110' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.762 0.234 . . . . 0.0 112.35 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.9 m -119.98 173.3 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.99 -50.0 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.536 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 10.0 t80 -57.4 -43.66 83.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.551 ' CD2' ' HB3' ' A' ' 106' ' ' PRO . 45.1 t80 -66.92 -38.31 85.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.9 mt -67.71 -35.66 79.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.671 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 1.5 t80 -75.28 -55.72 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.714 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.7 p -60.54 -30.35 69.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 25.7 t -74.95 -38.8 61.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -78.97 -16.72 56.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -98.07 -25.17 15.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.636 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 16.7 ttp180 -52.28 -52.03 66.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.3 Cg_endo -69.76 -7.13 20.27 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -94.88 -51.5 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 25.3 pt -76.87 -35.45 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -54.8 -43.87 73.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -70.02 -39.06 74.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.494 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.84 -35.13 74.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -119.42 92.72 46.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.27 6.74 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -47.27 -45.63 21.46 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 131' ' ' ASP . 38.0 mt -56.94 178.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 129' ' ' ILE . 59.2 m -144.87 155.87 43.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' SER . 40.9 mt -34.16 -44.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.28 -64.58 3.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 132' ' ' VAL . 4.6 m-20 -54.82 -58.85 5.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 131' ' ' ASP . 91.3 t -34.61 -52.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.497 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -64.59 -48.7 73.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -56.26 -21.98 27.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -79.53 -30.44 41.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' ' 113' ' ' CYS . 11.6 mt -76.93 -19.33 57.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -54.67 -35.76 58.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -89.7 -37.06 14.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.63 ' SD ' HD23 ' A' ' 136' ' ' LEU . 92.0 mtp -51.08 -44.6 61.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.671 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 16.4 t-105 -64.26 -49.19 72.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -49.97 -42.04 47.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -72.63 -40.24 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 147' ' ' ASP . 94.9 m -42.61 138.35 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.95 146.44 37.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -49.54 -47.18 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.67 -45.88 58.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.409 ' HB2' ' CG2' ' A' ' 143' ' ' THR . 2.9 m-20 -59.54 -21.42 60.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.559 ' HG2' ' CZ2' ' A' ' 140' ' ' TRP . 77.2 mttt -91.52 7.61 40.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.52 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 1.6 tt0 -54.0 -58.89 11.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.75 -44.51 2.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.719 2.28 . . . . 0.0 112.364 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -57.97 -26.9 62.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -90.88 -62.25 1.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -40.82 -53.06 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -54.82 -56.67 16.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -44.98 -49.32 11.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -41.35 -53.04 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -50.69 -51.08 52.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 82.2 mt -53.54 -50.08 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -38.99 -47.81 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -41.25 -55.74 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -47.2 -43.93 21.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.616 ' HE3' ' CD1' ' A' ' 25' ' ' PHE . 19.1 mtm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.778 0.323 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.0 m -81.72 172.6 13.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.4 m -48.65 -58.57 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.553 ' O ' HG23 ' A' ' 27' ' ' VAL . 70.5 t80 -60.67 -56.98 14.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.18 -40.96 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CD1' ' HE3' ' A' ' 20' ' ' MET . 4.9 m-85 -77.08 -57.05 4.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.3 OUTLIER -46.5 -31.17 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 23' ' ' TYR . 62.5 t -66.08 -35.76 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -92.34 -24.79 18.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.1 m -65.93 -48.04 72.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.3 m -67.84 -52.42 37.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.58 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -51.98 -41.03 61.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.37 -55.79 10.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.42 -29.82 17.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 37' ' ' LYS . 70.2 t60 -64.22 -66.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 34' ' ' HIS . 1.7 mptp? -34.73 -34.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' HIS . 3.8 mmmm -75.94 -47.78 23.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 34' ' ' HIS . 21.9 mtmm -63.7 -42.96 97.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -134.57 94.49 17.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.713 . . . . 0.0 110.839 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.285 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.78 -40.42 79.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.57 117.44 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 m -102.93 83.49 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.7 p -73.69 136.1 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -74.66 157.78 34.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -74.52 -45.47 45.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.1 t -61.55 -46.62 89.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -60.37 -39.7 88.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 31' ' ' ARG . 8.6 t80 -67.39 -36.08 80.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.1 t -65.01 -64.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -46.77 -30.89 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -76.57 -53.53 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.0 m -44.27 -30.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.0 t -60.13 -71.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -70.44 -13.96 62.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -86.34 -22.62 26.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 12.8 t-105 -82.46 -46.79 13.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -64.42 -42.89 95.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.507 HG23 ' N ' ' A' ' 59' ' ' MET . 10.2 t -57.16 -46.43 82.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.507 ' N ' HG23 ' A' ' 58' ' ' THR . 11.1 mtm -39.04 135.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 t -66.92 162.87 20.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.75 -44.68 58.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -54.68 -52.05 63.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.08 -48.02 71.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 84.9 mttt -64.96 -38.35 90.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -36.93 -74.6 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -42.73 -44.96 4.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 29.7 m-85 -61.14 -36.89 80.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.45 -49.52 63.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -63.79 -62.52 1.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 18.8 ptp -48.33 -42.51 31.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.456 ' N ' ' HG3' ' A' ' 70' ' ' MET . . . -57.35 -45.07 84.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -67.97 -60.88 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.13 -37.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.775 0.239 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' ALA . 19.4 m -116.2 170.3 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 151' ' ' TYR . . . -36.99 -56.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.524 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 18.7 t80 -50.22 -66.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -45.29 -44.45 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.6 mt -55.65 -53.36 57.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.562 ' HB2' ' CE2' ' A' ' 151' ' ' TYR . 1.3 t80 -61.92 -59.91 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.699 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.2 p -51.43 -36.42 43.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.0 t -71.59 -25.93 62.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.445 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.1 OUTLIER -86.24 -20.17 28.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.86 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -99.98 -23.12 15.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.638 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 8.3 ttp180 -49.81 -51.91 56.32 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 110.812 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.4 Cg_endo -69.76 -12.94 33.91 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.68 2.253 . . . . 0.0 112.294 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -90.63 -39.75 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 121' ' ' LYS . 13.9 pt -87.41 -47.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.475 ' N ' HG13 ' A' ' 120' ' ' ILE . 0.2 OUTLIER -48.05 -46.5 33.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.841 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -63.62 -38.45 96.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -68.64 -39.87 80.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.706 ' HB2' HD12 ' A' ' 127' ' ' LEU . 72.5 m-70 -110.4 92.92 14.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -2.29 9.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -96.25 -37.51 4.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.706 HD12 ' HB2' ' A' ' 124' ' ' HIS . 20.3 mt -60.23 126.75 28.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 129' ' ' ILE . 5.2 t -103.8 167.28 9.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 128' ' ' SER . 62.2 mt -34.32 -45.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.93 -65.86 2.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.5 ' HB3' HD23 ' A' ' 127' ' ' LEU . 1.3 m-20 -54.13 -57.41 11.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.436 ' CG2' ' HB3' ' A' ' 127' ' ' LEU . 75.6 t -39.29 -41.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.61 -52.85 63.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.71 -30.94 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -67.25 -30.28 70.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.699 HD13 ' HB2' ' A' ' 113' ' ' CYS . 9.0 mt -83.69 -41.64 17.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -48.49 -47.66 28.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -71.53 -47.51 54.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 7.9 mtm -48.01 -45.32 31.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.524 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 2.0 t-105 -65.57 -39.97 92.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -66.72 -25.33 66.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -107.93 36.45 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 12.8 m -119.22 129.48 54.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.28 142.2 58.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.95 -27.6 19.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.36 -48.03 81.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -10.76 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 149' ' ' GLN . 58.1 mttt -100.2 -23.8 14.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.515 ' HG3' ' CD ' ' A' ' 153' ' ' LYS . 4.7 tt0 -32.15 -58.81 0.4 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.71 -44.91 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.591 ' HB3' ' HB1' ' A' ' 108' ' ' ALA . 10.5 m-85 -53.15 -35.7 60.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -87.0 -63.96 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.515 ' CD ' ' HG3' ' A' ' 149' ' ' GLN . 4.8 mtpm? -43.96 -40.22 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -70.72 -49.56 45.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.33 -40.05 47.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -51.29 -44.23 61.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -58.64 -51.22 70.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.5 mt -47.84 -44.39 29.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.98 -38.91 39.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -50.13 -41.82 49.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -64.08 -21.63 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 40.3 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.956 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.683 ' CE ' ' CE1' ' A' ' 25' ' ' PHE . 6.2 mtm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -84.93 165.62 17.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.9 p -47.88 -40.0 20.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.69 ' O ' HG23 ' A' ' 27' ' ' VAL . 69.7 t80 -69.24 -54.81 12.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.49 -35.75 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.07 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.683 ' CE1' ' CE ' ' A' ' 20' ' ' MET . 5.8 m-85 -85.04 -43.71 13.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.56 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -56.38 -25.24 48.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 23' ' ' TYR . 47.2 t -82.3 -34.28 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 27.9 tt0 -70.31 -33.52 71.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.69 -33.28 53.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 m -77.19 -34.7 56.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 7.5 ptp180 -68.61 -36.03 78.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 4.2 pt-20 -75.44 -49.53 18.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 40.0 mm-40 -44.9 -36.33 3.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -67.59 -60.51 2.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -42.91 -24.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -78.41 -46.97 18.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -65.94 -44.86 83.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 18.1 m-70 -129.45 94.32 33.08 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.832 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 54.1 Cg_endo -69.7 -44.13 2.3 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.79 -36.84 83.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.93 125.75 27.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.0 t -111.12 103.54 11.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.7 p -83.21 142.47 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -78.16 168.98 19.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -81.17 -54.79 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.7 m -57.3 -44.47 84.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -64.63 -35.7 81.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' A' ' 31' ' ' ARG . 18.1 t80 -80.78 -26.51 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.5 t -71.62 -45.5 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -60.49 -27.0 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -77.52 -58.7 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.6 m -50.36 -27.12 5.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.2 m -65.64 -72.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 58' ' ' THR . 22.3 mt-10 -63.67 -15.72 59.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.411 ' HA ' HG22 ' A' ' 58' ' ' THR . 11.3 ttm-85 -87.76 -23.12 24.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.503 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 18.0 t-105 -82.74 -39.82 21.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -71.85 -33.73 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 54' ' ' GLU . 9.9 t -75.76 -7.38 54.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.442 ' HE2' ' CE3' ' A' ' 56' ' ' TRP . 8.0 mtp -79.18 126.64 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.8 m -63.19 156.49 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.19 -27.05 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -66.78 -52.53 43.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -57.84 -31.38 66.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.462 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 59.9 mttt -84.87 -31.47 23.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -41.98 -58.17 3.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.509 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -52.71 -51.8 58.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.325 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 41.0 m-85 -55.09 -41.72 71.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.38 -42.96 78.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -65.46 -49.91 67.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.8 mtm -59.63 -60.07 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -42.72 -46.17 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -58.24 -49.35 77.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.48 -37.98 18.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.788 0.245 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.1 p -125.98 168.08 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.41 -45.02 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.558 ' CZ ' ' SG ' ' A' ' 113' ' ' CYS . 11.6 t80 -59.58 -62.83 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -44.84 -40.12 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.03 -66.14 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.587 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -49.82 -50.09 46.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.632 ' HA ' HD22 ' A' ' 136' ' ' LEU . 58.5 m -56.03 -52.61 63.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.2 t -67.1 -8.01 27.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -102.07 -26.29 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -98.69 -18.83 17.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.647 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 10.3 ttp180 -53.98 -52.11 71.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.607 0.718 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.74 -14.74 36.57 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.733 2.289 . . . . 0.0 112.358 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -87.63 -38.47 15.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.504 HD11 HG13 ' A' ' 132' ' ' VAL . 23.6 pt -85.91 -37.44 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.443 ' CD ' ' HA ' ' A' ' 118' ' ' PRO . 15.9 ptmt -44.5 -32.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -85.09 -27.86 32.67 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -73.97 -50.62 19.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.779 ' HB2' HD12 ' A' ' 127' ' ' LEU . 28.4 m-70 -111.9 89.24 11.13 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.539 0.685 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -39.34 6.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.325 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -49.32 -40.75 30.75 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 124' ' ' HIS . 32.8 mt -58.08 -175.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 129' ' ' ILE . 1.4 t -160.05 160.69 33.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 128' ' ' SER . 75.4 mt -35.61 -36.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.61 -53.4 20.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.478 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.443 ' HB3' HD22 ' A' ' 127' ' ' LEU . 10.3 m-20 -71.15 -56.82 5.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.504 HG13 HD11 ' A' ' 120' ' ' ILE . 18.8 t -37.32 -54.82 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.428 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -45.81 -48.22 15.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -60.95 -27.58 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -72.91 -30.58 64.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.632 HD22 ' HA ' ' A' ' 113' ' ' CYS . 13.3 mt -77.89 -19.74 54.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.28 -62.4 4.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 138' ' ' GLU . 6.4 pm0 -64.99 -39.08 92.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 31.0 mmm -48.82 -30.7 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.587 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 4.9 t-105 -79.74 -41.23 27.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -62.98 -33.63 75.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -80.5 -39.53 27.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 22.9 m -45.13 140.79 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.12 151.11 31.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.83 -38.27 75.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.07 -33.58 70.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.54 -17.38 60.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.4 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 66.7 mttt -95.62 11.22 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.519 ' HG3' ' CD ' ' A' ' 153' ' ' LYS . 5.6 tt0 -55.6 -59.49 11.17 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.2 Cg_endo -69.72 -36.66 10.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.736 2.291 . . . . 0.0 112.375 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.485 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 58.3 m-85 -64.04 -42.82 96.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -79.03 -45.47 20.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.519 ' CD ' ' HG3' ' A' ' 149' ' ' GLN . 5.4 mtpm? -61.05 -51.3 69.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -57.62 -53.44 58.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -47.38 -35.7 8.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -57.41 -34.12 68.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -66.77 -52.63 41.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.1 mt -45.42 -50.26 12.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -41.47 -37.41 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -64.43 -50.4 67.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -54.2 -21.31 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 56.4 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.447 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 26.1 mtp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.769 0.319 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.1 m -87.87 174.44 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.7 m -43.89 -58.8 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.649 ' CE2' HG21 ' A' ' 27' ' ' VAL . 35.3 t80 -57.86 -63.1 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' TYR . . . -33.82 -38.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.066 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 5.5 m-85 -83.0 -54.22 5.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.544 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -47.04 -43.71 20.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.649 HG21 ' CE2' ' A' ' 23' ' ' TYR . 53.4 t -58.41 -28.2 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.467 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 6.1 tt0 -92.33 -28.48 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.3 m -68.69 -38.9 80.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.452 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 77.1 m -76.49 -51.74 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' NE ' ' HA ' ' A' ' 28' ' ' GLN . 4.7 ptp180 -47.77 -41.04 22.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.39 -38.09 89.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -56.43 -39.4 73.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -68.35 -57.93 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -44.29 -29.04 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -78.67 -45.81 20.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -64.97 -43.73 91.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 15.8 m-70 -134.55 94.4 17.24 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.547 0.689 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.2 Cg_endo -69.77 -35.73 12.08 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.74 2.293 . . . . 0.0 112.344 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -71.04 -37.19 72.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.34 119.08 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -90.59 99.36 12.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.406 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 11.8 p -101.45 135.95 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -83.72 169.46 15.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -90.96 -45.43 8.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -67.65 -23.1 65.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.567 ' CD ' ' N ' ' A' ' 48' ' ' PHE . 1.7 pp20? -83.37 -45.45 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.567 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 23.0 t80 -63.3 -20.32 65.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.0 t -65.76 -47.74 74.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -57.55 -20.73 33.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -86.56 -50.01 7.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.545 ' SG ' HG13 ' A' ' 27' ' ' VAL . 54.2 m -55.63 -35.17 65.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -71.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.483 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 14.4 pt-20 -59.05 -19.62 45.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -81.46 -23.95 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.497 ' CE2' ' HE2' ' A' ' 64' ' ' LYS . 70.4 t-105 -86.55 -30.85 21.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 6.2 ptmm? -76.6 -29.76 56.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.0 t -76.24 -35.32 59.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.6 mtm -61.9 146.34 50.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -103.81 179.08 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.55 -25.84 11.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.168 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -60.99 -42.17 97.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -87.85 -53.11 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.497 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 68.9 mttt -52.13 -36.51 51.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.96 -73.62 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -46.92 -37.62 9.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.328 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 25.3 m-85 -68.01 -30.44 69.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -72.32 -50.5 26.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -62.35 -51.7 66.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 ptp -54.87 -37.02 65.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.82 -34.53 78.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -73.88 -30.43 62.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.52 91.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.805 0.252 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.1 p -94.9 159.21 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.69 -32.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.457 ' HB2' ' NE1' ' A' ' 140' ' ' TRP . 16.1 t80 -67.21 -49.17 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -59.47 -22.12 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 88.8 mt -82.15 -48.57 11.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.606 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -68.82 -48.65 63.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.421 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.7 p -61.78 -29.34 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.8 t -82.61 -12.99 57.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -97.11 -35.92 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.442 ' CD2' ' HD3' ' A' ' 119' ' ' LYS . 3.0 m-85 -83.73 -25.44 30.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.648 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 3.2 ttm180 -40.0 -52.11 5.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.589 0.709 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.9 Cg_endo -69.74 -36.12 11.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.442 ' HD3' ' CD2' ' A' ' 116' ' ' TYR . 8.1 ptmt -72.05 -23.64 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.61 HD13 HD21 ' A' ' 136' ' ' LEU . 36.4 pt -95.89 -37.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 120' ' ' ILE . 1.1 tmmt? -53.02 -43.92 66.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -71.91 -47.67 30.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.447 ' OE1' ' CA ' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -55.04 -42.74 73.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.731 ' HB2' HD12 ' A' ' 127' ' ' LEU . 86.2 m-70 -116.34 93.14 38.75 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.578 0.704 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.3 Cg_endo -69.79 -21.54 33.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.316 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.42 -43.02 21.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.731 HD12 ' HB2' ' A' ' 124' ' ' HIS . 92.1 mt -51.34 126.05 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 129' ' ' ILE . 98.1 p -98.22 163.3 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' SER . 30.6 mt -35.16 -36.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -74.4 -57.69 4.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 0.6 OUTLIER -63.07 -53.68 49.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 131' ' ' ASP . 92.9 t -34.22 -52.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.4 -47.17 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 131' ' ' ASP . 11.7 tptm -53.71 -24.04 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.27 -39.98 64.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.61 HD21 HD13 ' A' ' 120' ' ' ILE . 4.5 mt -78.41 -24.56 46.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.79 -53.27 42.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.44 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.65 -47.8 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 90.7 mtp -49.4 -50.73 39.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.606 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 24.3 t-105 -59.02 -29.8 67.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -82.78 -25.52 32.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -106.62 29.15 7.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.413 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 3.8 m -114.99 133.28 56.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.4 155.23 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.99 -26.85 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.45 -40.19 90.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.413 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 5.1 t70 -69.87 -18.09 63.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -93.61 5.93 49.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.509 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.9 tt0 -51.83 -59.33 8.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.585 0.707 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.9 Cg_endo -69.74 -36.8 10.19 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 30.5 m-85 -66.17 -32.98 74.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.65 -53.82 4.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -47.43 -53.05 15.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -55.21 -53.52 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -45.67 -55.36 6.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -41.21 -56.56 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -47.94 -58.65 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 19.7 mt -46.43 -50.3 16.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -41.6 -54.43 3.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -49.29 -59.28 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -46.04 -44.91 15.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.547 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 29.8 mtp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.5 m -100.27 -174.76 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 p -59.05 -44.16 91.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.418 ' O ' HG23 ' A' ' 27' ' ' VAL . 79.9 t80 -68.39 -62.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -40.04 -39.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.059 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.547 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 5.1 m-85 -81.69 -52.46 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -47.67 -28.36 2.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 23' ' ' TYR . 98.2 t -75.92 -32.95 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -92.32 -13.77 29.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.5 m -82.56 -38.2 24.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.4 m -76.45 -28.49 56.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -73.67 -40.65 63.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 4.3 pt-20 -66.97 -49.4 65.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 16.4 mm-40 -52.22 -35.34 49.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -68.5 -60.39 2.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.99 -23.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -80.95 -45.34 16.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.8 -45.54 82.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -134.61 94.84 16.54 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.553 0.692 . . . . 0.0 110.838 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -43.94 2.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -61.19 -32.06 71.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.66 122.27 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.5 p -104.07 94.42 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 44' ' ' ASN . 2.0 p -83.09 155.54 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.439 ' N ' ' CG2' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -96.69 154.83 17.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -80.7 -57.22 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -44.8 -41.65 7.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -75.3 -47.98 25.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -65.33 -14.2 60.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 t -86.95 -66.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HG3' ' CE ' ' A' ' 51' ' ' LYS . 9.7 ptmt -43.84 -36.9 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.476 ' CE ' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.38 -54.76 17.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.41 ' HB3' HG22 ' A' ' 27' ' ' VAL . 9.3 m -41.56 -29.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.8 t -67.35 -71.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -63.97 -15.07 58.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -89.58 -23.72 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.578 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 21.3 t-105 -83.46 -40.19 19.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -67.97 -38.33 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 t -68.47 -24.73 64.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.573 ' SD ' ' CE1' ' A' ' 26' ' ' PHE . 15.3 mtp -61.39 120.53 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.97 157.73 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.53 -41.84 31.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 10.5 ptpp? -54.47 -40.74 68.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 30.3 mm-40 -67.71 -37.88 82.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.52 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 82.9 mttt -78.62 -24.81 45.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.23 -59.68 8.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -51.85 -50.26 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 36.9 m-85 -54.32 -38.19 65.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.96 -32.24 72.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.88 -56.36 4.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.497 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 4.7 mtm -53.87 -50.05 67.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.08 -51.34 62.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -53.3 -31.73 45.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 70' ' ' MET . . . -58.45 -34.48 70.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.23 0.122 0 CA-C-O 120.784 0.243 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 108' ' ' ALA . 77.5 p -135.77 153.82 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -35.67 -43.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.464 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 2.0 t80 -66.94 -47.62 71.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.421 ' O ' ' CB ' ' A' ' 114' ' ' SER . 11.1 t80 -61.5 -43.11 99.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.66 -50.18 70.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.653 ' CG ' ' CE3' ' A' ' 140' ' ' TRP . 0.6 OUTLIER -62.16 -48.26 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.7 p -68.26 -32.58 72.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 42.2 t -75.62 -14.77 60.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -101.64 -26.02 13.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -91.83 -10.62 39.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.643 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 9.9 ttm180 -62.53 -51.79 70.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.634 0.73 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.83 -7.85 22.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.302 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -93.21 -36.69 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.2 pt -92.3 -40.39 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -51.84 -32.39 31.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -79.89 -38.46 19.57 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.15 -47.89 72.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -107.1 90.45 5.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -17.59 37.43 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -70.89 -47.36 39.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 131' ' ' ASP . 36.7 mt -50.69 -178.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.7 t -152.92 172.97 15.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.0 mt -50.13 -36.53 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -69.12 -51.18 29.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.499 ' HB3' HD22 ' A' ' 127' ' ' LEU . 9.6 m-20 -71.38 -60.43 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' ASP . 52.6 t -34.25 -49.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.742 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -50.78 -48.06 59.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 131' ' ' ASP . 0.6 OUTLIER -60.5 -32.77 71.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -69.27 -25.52 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 133' ' ' ALA . 10.4 mt -79.36 -21.48 45.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.66 -62.8 5.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 138' ' ' GLU . 13.3 pm0 -66.27 -34.76 78.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 64.9 mmm -55.18 -48.75 73.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.653 ' CE3' ' CG ' ' A' ' 112' ' ' PHE . 31.0 t-105 -66.62 -33.3 75.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -75.72 -27.74 58.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -86.61 -36.83 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 53.7 m -37.8 149.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.94 134.7 38.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.111 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -45.51 -36.65 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -61.58 -37.15 82.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.28 -15.06 62.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 149' ' ' GLN . 44.7 mttp -94.72 -22.35 18.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.521 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.5 tt0 -33.94 -58.58 0.58 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.61 0.719 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.0 Cg_endo -69.79 -44.75 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 15.3 m-85 -55.57 -23.39 26.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -93.84 -57.85 2.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -48.64 -43.52 36.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -66.5 -66.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -40.03 -44.64 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -48.87 -59.93 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -41.61 -53.53 3.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 29.7 mt -62.64 -39.11 92.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -60.04 -41.98 93.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -55.34 -49.78 71.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -54.15 -39.48 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 40.4 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.424 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 21.0 mtp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.796 0.331 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -105.32 161.85 13.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -40.7 -55.76 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.758 ' CE2' HG21 ' A' ' 27' ' ' VAL . 50.6 t80 -56.52 -60.32 3.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' TYR . . . -35.49 -40.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.495 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 9.1 m-85 -82.48 -57.52 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.547 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -42.84 -31.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.758 HG21 ' CE2' ' A' ' 23' ' ' TYR . 46.6 t -81.79 -31.34 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' PHE . 3.6 pt20 -79.62 -28.45 40.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -76.22 -58.22 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 54.8 m -54.64 -45.92 73.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.539 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 19.6 ptt180 -56.68 -42.87 79.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 22.8 mt-10 -65.11 -45.33 85.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -56.42 -36.62 69.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.559 ' CD2' HG11 ' A' ' 43' ' ' VAL . 8.6 t60 -61.39 -67.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -39.29 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 34' ' ' HIS . 24.5 mmtt -82.16 -41.62 20.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 34' ' ' HIS . 23.2 mmtp -68.45 -43.32 77.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 44.1 m-70 -130.0 95.02 29.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.82 -42.53 3.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -62.01 -40.02 94.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.65 115.01 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 t -89.94 42.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.559 HG11 ' CD2' ' A' ' 34' ' ' HIS . 7.2 p -51.17 136.84 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -81.3 154.09 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' A' ' 46' ' ' SER . 28.8 p90 -79.88 -53.04 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.556 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 3.2 m -52.5 -53.0 51.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.06 -47.63 83.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 31' ' ' ARG . 89.6 t80 -39.96 -31.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' LYS . 23.2 t -61.29 -45.1 95.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -39.06 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' SER . 80.1 mttt -87.5 -54.83 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.409 ' HB3' HG22 ' A' ' 27' ' ' VAL . 3.8 m -47.22 -32.56 4.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.2 p -61.2 -70.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -67.15 -17.63 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -84.34 -26.66 28.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.516 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 35.0 t-105 -78.3 -38.57 42.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -68.98 -39.74 79.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 t -65.73 -40.7 92.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.6 mtm -49.04 124.8 9.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -62.88 164.5 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.29 -45.41 34.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.084 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -54.11 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -47.38 -37.68 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.516 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 69.2 mttt -72.96 -36.19 67.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -43.81 -56.87 4.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -55.03 -36.14 65.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.547 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 56.0 m-85 -80.32 -21.11 42.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -85.81 -32.68 21.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.51 -33.27 36.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.0 ptp -76.86 -32.22 57.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 25' ' ' PHE . . . -71.08 -41.15 71.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 2.7 ptmm? -63.63 -33.0 74.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.49 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -53.08 -20.61 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.2 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.857 0.274 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 t -120.48 168.01 11.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 151' ' ' TYR . . . -49.91 -30.87 11.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.463 ' HB2' ' NE1' ' A' ' 140' ' ' TRP . 5.4 t80 -63.9 -53.76 45.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -54.29 -48.51 71.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.5 mt -54.86 -66.0 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.532 ' HA ' ' CE1' ' A' ' 151' ' ' TYR . 1.1 t80 -44.99 -55.01 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.807 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.8 p -60.76 -29.58 69.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.9 t -82.0 -12.9 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -101.62 -22.25 14.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -95.82 -19.52 19.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.638 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 11.1 ttp180 -52.57 -51.89 68.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.4 Cg_endo -69.71 -3.68 12.46 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.368 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -102.15 -35.54 8.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.915 HD11 HG13 ' A' ' 132' ' ' VAL . 44.4 pt -92.54 -34.87 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.445 ' N ' HG13 ' A' ' 120' ' ' ILE . 1.1 tmmt? -62.63 -49.93 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -65.19 -37.92 94.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -70.99 -45.66 63.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.633 ' CB ' HD12 ' A' ' 127' ' ' LEU . 44.3 m-70 -105.15 96.13 10.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -29.34 23.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.236 . . . . 0.0 112.346 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.25 -34.98 90.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.633 HD12 ' CB ' ' A' ' 124' ' ' HIS . 13.7 mt -78.12 158.92 28.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 129' ' ' ILE . 39.6 m -149.64 171.77 16.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' SER . 88.2 mt -35.71 -37.49 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.92 -57.78 10.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 132' ' ' VAL . 34.4 m-20 -71.13 -59.64 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.804 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.915 HG13 HD11 ' A' ' 120' ' ' ILE . 54.3 t -33.76 -50.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -42.24 -64.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -52.39 -30.48 29.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.632 ' HE2' HD13 ' A' ' 127' ' ' LEU . 5.9 ttpp -67.56 -35.34 78.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.807 HD13 ' HB2' ' A' ' 113' ' ' CYS . 16.6 mt -81.28 -23.51 37.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.25 -44.35 95.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 139' ' ' MET . 7.1 pt-20 -74.75 -41.62 59.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.445 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 28.6 mtp -50.53 -61.24 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.463 ' NE1' ' HB2' ' A' ' 109' ' ' PHE . 6.4 t-105 -50.07 -34.88 23.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -76.91 -24.08 52.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -110.73 26.9 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 24.3 m -106.41 135.61 47.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -68.73 135.49 51.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -46.44 -40.91 13.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -55.02 -36.13 65.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.59 -13.2 61.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -99.24 1.48 44.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.511 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.9 tt0 -50.95 -58.68 9.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.9 Cg_endo -69.76 -17.96 37.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.626 2.217 . . . . 0.0 112.349 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.532 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 38.2 m-85 -89.41 -22.0 22.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -93.43 -52.29 4.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -55.23 -47.61 75.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -57.12 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -41.69 -48.07 4.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -44.76 -40.47 6.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -65.19 -50.31 66.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 17.7 mt -47.51 -45.04 26.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.964 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -42.03 -39.59 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -51.2 -41.45 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -60.59 -45.85 92.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 32.6 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.597 ' HE3' ' CD1' ' A' ' 25' ' ' PHE . 10.0 mtm . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.774 0.321 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.7 p -101.26 178.86 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.8 p -48.88 -54.04 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -62.67 -62.08 1.98 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.555 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -39.23 -39.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CD1' ' HE3' ' A' ' 20' ' ' MET . 8.8 m-85 -78.99 -56.43 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.551 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -45.47 -29.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.36 -35.58 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -89.01 -23.26 22.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.7 m -74.26 -40.96 62.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.551 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 90.7 m -71.75 -53.68 12.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 10.0 ptm180 -44.24 -40.87 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 11.4 mt-10 -65.78 -49.52 68.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -50.99 -36.44 39.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.559 ' HE1' ' HB3' ' A' ' 41' ' ' ALA . 3.2 t-80 -60.9 -67.59 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.459 ' N ' ' HE3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -36.96 -29.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 34' ' ' HIS . 2.0 mmmm -78.99 -44.74 21.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 34' ' ' HIS . 18.3 mmtp -68.7 -45.09 72.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.853 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 49.0 m-70 -133.32 93.54 21.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.75 -49.42 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.272 . . . . 0.0 112.329 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -85.6 21.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.853 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . . . -87.79 120.45 29.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.3 p -71.79 85.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -105.03 142.26 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -95.53 -176.92 3.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -103.44 -48.66 3.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -64.19 -36.61 84.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.566 ' CD ' ' N ' ' A' ' 48' ' ' PHE . 2.1 pp20? -65.62 -45.67 82.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 16.2 t80 -62.05 -33.77 75.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 51' ' ' LYS . 1.6 m -78.46 -61.61 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -42.91 -23.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.3 ttmt -92.72 -41.81 9.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -47.81 -25.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.7 p -68.58 -67.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -69.25 -15.79 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' C ' HG22 ' A' ' 58' ' ' THR . 20.7 ttt85 -87.23 -23.69 24.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.532 ' CZ2' ' HD3' ' A' ' 64' ' ' LYS . 16.0 t-105 -83.59 -41.73 17.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -68.16 -33.4 74.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.416 HG22 ' C ' ' A' ' 55' ' ' ARG . 9.8 t -68.86 -29.15 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.4 mtm -59.4 123.21 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.9 m -59.38 152.46 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.96 -38.36 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -58.15 -42.0 84.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -66.63 -47.05 73.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.532 ' HD3' ' CZ2' ' A' ' 56' ' ' TRP . 77.3 mttt -63.31 -26.94 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' GLU . . . -41.34 -72.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -43.74 -43.97 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 49.3 m-85 -65.85 -30.4 71.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' GLY . 7.7 mm-40 -74.41 -40.03 62.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.13 -56.89 4.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 8.4 ptp -49.24 -43.8 43.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 70' ' ' MET . . . -61.46 -44.39 97.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -51.89 -36.62 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.45 -43.91 84.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 t70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.795 0.248 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 108' ' ' ALA . 15.2 m -111.4 164.85 12.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.525 ' HB1' ' HZ2' ' A' ' 140' ' ' TRP . . . -33.73 -70.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.547 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 11.0 t80 -40.68 -42.79 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.34 -61.85 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.2 mt -42.31 -45.78 4.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.524 ' HA ' ' CE1' ' A' ' 151' ' ' TYR . 0.9 OUTLIER -65.79 -52.36 51.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.543 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.4 p -57.23 -30.47 64.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.3 t -74.68 -10.53 59.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.54 -41.05 7.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.552 ' CD2' ' HD3' ' A' ' 119' ' ' LYS . 4.2 m-85 -83.12 -44.33 15.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.543 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 8.3 ttp180 -28.24 -57.86 0.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.8 Cg_endo -69.75 -38.05 8.36 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.552 ' HD3' ' CD2' ' A' ' 116' ' ' TYR . 0.0 OUTLIER -61.89 -26.15 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.2 pt -96.13 -31.34 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.66 -50.91 67.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -61.91 -36.21 92.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -69.31 -39.97 77.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -121.63 94.15 48.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.536 0.684 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -34.44 14.65 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.17 -51.4 54.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.526 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.637 HD22 ' HB3' ' A' ' 131' ' ' ASP . 85.7 mt -50.27 152.99 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.9 m -125.29 166.78 15.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 36.6 mt -38.48 -35.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -69.02 -51.5 28.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.637 ' HB3' HD22 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -70.7 -61.96 1.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 131' ' ' ASP . 97.2 t -35.65 -37.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.426 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -66.76 -49.3 66.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 131' ' ' ASP . 19.2 ttmt -61.06 -29.02 69.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -67.67 -25.27 65.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 113' ' ' CYS . 7.1 mt -86.82 -13.54 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.19 -47.54 79.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -70.13 -39.16 75.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 30.0 mtt -47.16 -64.96 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.565 ' CH2' ' HG2' ' A' ' 148' ' ' LYS . 4.2 t-105 -48.6 -35.19 13.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.08 -25.03 55.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -109.26 33.8 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 m -117.29 127.22 53.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.43 138.79 39.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -50.84 -34.52 28.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.15 -25.65 68.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.44 11.48 14.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.565 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 64.1 mttt -120.26 -22.97 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.649 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 11.8 tt0 -43.99 -51.4 18.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.71 -16.47 37.78 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.524 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 15.6 m-85 -90.39 -28.75 18.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -87.96 -58.49 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -44.63 -50.3 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -59.57 -52.57 64.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -43.66 -34.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.97 -54.95 34.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.451 ' O ' ' CD ' ' A' ' 161' ' ' LYS . 23.3 mmmt -50.13 -24.19 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 13.2 mt -87.89 -33.09 18.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -71.22 -43.61 66.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 161' ' ' LYS . 11.0 pt-20 -55.08 -48.74 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -56.5 -40.31 74.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 8.9 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 12.6 mtp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 t -90.27 166.37 13.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 m -40.81 -63.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.525 ' CD1' ' CG ' ' A' ' 56' ' ' TRP . 50.3 t80 -56.47 -58.61 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.444 ' O ' ' HE2' ' A' ' 20' ' ' MET . . . -41.91 -39.08 1.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 3.6 m-85 -77.97 -54.47 6.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.402 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -47.65 -19.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 23' ' ' TYR . 78.4 t -79.14 -34.9 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -92.44 -18.46 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.3 m -76.62 -37.56 56.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 85.5 m -72.44 -48.96 36.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 5.9 ptm180 -49.47 -43.96 45.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 4.9 mm-40 -66.56 -59.07 3.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -50.31 -32.6 17.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LYS . 29.2 t60 -61.23 -63.68 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -38.85 -27.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' HIS . 4.9 mmpt? -80.74 -42.98 20.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' HIS . 18.7 mmtp -67.79 -45.29 75.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . 52.9 m-70 -133.61 94.62 18.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.527 0.68 . . . . 0.0 110.838 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.242 . . . . 0.0 112.372 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -85.35 32.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.418 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . . . -82.4 175.23 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.0 p -132.74 77.51 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -110.97 142.59 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 45' ' ' PHE . 10.0 m-20 -107.15 123.77 48.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 44' ' ' ASN . 68.9 m-85 -36.76 -54.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -55.38 -52.72 62.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' SER . 5.9 mm-40 -55.37 -54.25 45.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 10.4 t80 -35.85 -32.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' GLU . 40.2 t -58.05 -54.08 51.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -49.63 -31.57 11.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -56.22 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.8 p -58.0 -34.22 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -67.46 -45.85 74.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.448 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 8.3 pt-20 -81.84 -19.2 41.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' HA ' HG22 ' A' ' 58' ' ' THR . 47.0 mtp180 -84.9 -33.54 22.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.525 ' CG ' ' CD1' ' A' ' 23' ' ' TYR . 67.3 t-105 -71.19 -31.88 68.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.448 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 17.5 ptmt -75.57 -44.33 43.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.446 HG22 ' HA ' ' A' ' 55' ' ' ARG . 6.9 t -68.82 -42.72 76.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.179 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.42 ' N ' HG23 ' A' ' 58' ' ' THR . 3.2 mtm -47.9 112.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 p -64.59 175.1 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.56 -36.63 74.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -58.76 -29.04 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -85.48 -41.62 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 74.8 mttt -71.79 -18.61 62.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.26 -72.96 0.4 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -46.83 -43.78 18.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -61.73 -35.24 77.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.65 -45.91 70.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -67.57 -62.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.2 ptp -47.41 -38.82 14.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.36 -37.18 80.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -64.3 -52.85 56.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.98 -20.25 50.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.137 0 CA-C-O 120.798 0.249 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.3 p -107.08 161.85 14.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.52 -41.46 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.484 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 10.5 t80 -60.83 -43.07 98.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.829 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 114' ' ' SER . 49.2 t80 -66.39 -47.32 73.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 72.6 mt -58.6 -38.77 78.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 113' ' ' CYS . 1.1 t80 -71.17 -60.37 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.53 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.2 p -58.56 -30.79 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 18.0 m -67.54 -21.94 65.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -97.92 -20.04 17.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.416 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.1 m-85 -92.57 -31.96 15.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.569 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 2.1 ttt180 -48.62 -56.06 16.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.77 -14.18 35.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.603 2.202 . . . . 0.0 112.364 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -89.23 -33.25 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 121' ' ' LYS . 12.1 pt -93.26 -44.99 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.437 ' N ' HG13 ' A' ' 120' ' ' ILE . 29.5 ttpt -47.19 -37.33 10.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -75.67 -37.47 39.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.473 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -68.85 -40.52 79.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 77.3 m-70 -114.44 92.61 28.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.567 0.699 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.3 Cg_endo -69.81 -12.99 33.93 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.08 -42.8 9.19 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 131' ' ' ASP . 46.5 mt -54.56 123.93 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.5 p -90.55 169.46 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 43.9 mt -45.48 -37.59 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.51 -58.06 7.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.471 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 132' ' ' VAL . 10.8 m-20 -58.41 -58.02 10.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 131' ' ' ASP . 69.5 t -35.27 -47.85 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.503 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -57.74 -48.92 78.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 131' ' ' ASP . 46.1 mmtt -51.82 -36.75 49.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -64.83 -29.34 70.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 133' ' ' ALA . 6.8 mt -86.77 -28.1 23.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.02 -43.53 97.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 139' ' ' MET . 12.9 pt-20 -75.56 -45.0 40.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.456 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 2.8 mmm -43.95 -67.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.503 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 3.2 t-105 -45.13 -36.38 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -74.68 -29.48 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 139' ' ' MET . 24.7 p30 -104.77 30.41 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.445 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 18.3 m -114.26 137.06 52.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.47 131.7 44.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -41.61 -39.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -51.85 -44.47 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.445 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 9.2 t70 -62.52 -21.05 65.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.501 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 72.3 mttt -94.74 12.33 28.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.527 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.1 tt0 -58.73 -58.73 17.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.7 Cg_endo -69.74 -32.41 18.71 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 18.1 m-85 -69.41 -46.12 67.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.56 -58.44 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 29.4 mtmt -46.71 -54.05 10.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -55.28 -69.29 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -39.42 -45.01 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -47.76 -50.54 25.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -51.96 -49.7 62.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 60.3 mt -53.37 -53.3 53.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -38.01 -50.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -47.12 -55.29 8.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -47.81 -44.43 28.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 -179.915 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.5 mtp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.743 0.306 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' SER . 5.8 t -114.59 156.12 25.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' SER . 10.1 p -36.29 -44.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.85 -60.54 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.33 -33.53 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -82.98 -39.89 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.402 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -66.06 -26.4 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.6 t -81.88 -31.33 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.63 -11.51 36.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.2 m -91.22 -52.21 4.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 m -63.02 -21.89 66.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.408 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 35.2 ptt85 -80.21 -43.28 21.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 6.3 pt-20 -70.14 -49.69 48.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.531 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 18.7 mt-10 -50.94 -35.11 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LYS . 38.3 t60 -63.36 -60.45 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -37.33 -29.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.8 OUTLIER -78.44 -43.94 25.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' HIS . 14.2 mmmt -69.21 -43.49 73.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . 34.0 m-70 -131.92 94.97 23.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 110.803 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -49.6 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.256 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -92.5 38.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.518 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . . . -80.36 172.96 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.8 t -125.22 50.61 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 p -84.61 145.15 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -105.19 145.41 30.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -67.16 -64.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.4 t -44.32 -36.7 2.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -73.69 -38.6 64.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -68.36 -23.73 64.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.87 -49.89 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -21.71 66.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HE3' ' CZ ' ' A' ' 55' ' ' ARG . 15.2 ptmt -87.38 -39.62 15.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.2 m -55.21 -28.23 51.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -64.64 -56.51 13.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.11 -25.8 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.445 ' HA ' HG22 ' A' ' 58' ' ' THR . 30.0 mtt85 -79.4 -22.25 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.498 ' CD2' ' HE2' ' A' ' 64' ' ' LYS . 46.7 t-105 -82.11 -35.65 28.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -76.7 -33.48 58.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 55' ' ' ARG . 13.6 t -72.55 -40.31 66.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 58' ' ' THR . 4.9 mtm -51.81 113.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 t -62.06 174.05 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.52 -46.38 73.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -48.08 -40.36 22.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -70.63 -52.76 19.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 86.5 mttt -63.97 -14.15 51.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -47.66 -61.66 4.56 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -55.83 -57.63 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 69.1 m-85 -48.57 -35.9 14.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -67.65 -38.86 84.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -69.97 -29.93 67.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 mtm -82.18 -45.05 15.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.59 84.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -65.08 -36.48 84.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.467 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -74.98 -29.5 60.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.775 0.239 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.8 p -133.56 169.86 16.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.08 -45.6 22.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.581 ' CE1' ' SG ' ' A' ' 113' ' ' CYS . 19.2 t80 -50.21 -52.4 36.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.38 -47.11 76.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 151' ' ' TYR . 92.9 mt -55.25 -64.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.74 -48.84 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.654 ' HA ' HD22 ' A' ' 136' ' ' LEU . 71.9 m -53.94 -61.69 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.7 t -57.62 -13.64 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -91.8 -28.46 17.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -99.29 -14.95 19.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.635 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 6.3 ttt180 -55.85 -52.16 74.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.6 Cg_endo -69.79 -5.64 16.71 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -93.74 -55.67 3.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.728 HD11 HG13 ' A' ' 132' ' ' VAL . 38.6 pt -77.17 -35.44 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 117' ' ' ARG . 31.4 ttmt -61.09 -55.85 27.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -62.57 -41.53 99.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -66.25 -39.95 89.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.923 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 81.8 m-70 -116.43 92.83 38.08 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.7 Cg_endo -69.74 -14.26 35.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.346 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -79.93 -37.66 21.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.556 HD22 ' HB3' ' A' ' 131' ' ' ASP . 38.9 mt -62.41 122.19 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.2 m -98.38 164.33 12.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.1 mt -38.28 -41.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -57.83 -50.33 66.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.556 ' HB3' HD22 ' A' ' 127' ' ' LEU . 5.5 m-20 -71.81 -64.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.728 HG13 HD11 ' A' ' 120' ' ' ILE . 59.4 t -34.82 -51.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.81 -44.52 63.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 131' ' ' ASP . 33.3 ttpt -64.16 -30.64 71.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -72.86 -21.3 60.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.654 HD22 ' HA ' ' A' ' 113' ' ' CYS . 28.4 mt -88.87 -32.23 17.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.62 -46.27 85.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.423 ' C ' ' OE1' ' A' ' 138' ' ' GLU . 0.9 OUTLIER -72.61 -39.63 67.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 24.9 mmm -54.57 -45.2 73.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.466 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 3.0 t-105 -64.79 -45.44 86.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -58.03 -31.46 67.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -103.6 42.05 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 30.9 m -121.36 137.0 54.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -82.26 143.82 31.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -45.57 -38.57 6.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -53.36 -49.56 66.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -63.11 -13.24 34.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.431 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 70.6 mttt -101.82 9.06 41.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.528 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.4 tt0 -55.92 -58.61 15.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.59 0.71 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.81 -38.73 7.3 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.632 2.221 . . . . 0.0 112.342 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.424 ' O ' HD12 ' A' ' 111' ' ' LEU . 28.8 m-85 -64.59 -39.31 93.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -77.4 -60.67 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 149' ' ' GLN . 31.6 mmtt -42.23 -47.93 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -61.75 -55.02 34.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.2 -29.68 61.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.14 96.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -57.6 -47.94 80.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.57 -40.93 89.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -60.61 -50.58 72.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -40.48 -44.39 2.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -41.78 96.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.959 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 13.1 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.539 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 21.0 mtp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.766 0.317 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -87.94 174.69 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.9 m -48.83 -49.19 40.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.462 ' O ' HG23 ' A' ' 27' ' ' VAL . 57.1 t80 -65.09 -57.18 9.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.14 -38.69 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 6.6 m-85 -80.86 -53.19 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -47.99 -23.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 23' ' ' TYR . 66.9 t -75.93 -33.69 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.425 ' HG3' ' NE ' ' A' ' 31' ' ' ARG . 18.6 tt0 -92.18 -16.82 25.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.2 m -75.24 -24.4 57.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.6 m -92.85 -40.96 10.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.479 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 14.9 ptt180 -59.77 -46.65 88.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 15.1 mm-40 -60.5 -43.02 97.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -60.74 -29.15 69.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -71.23 -56.07 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HE2' ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -46.75 -20.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -84.02 -38.06 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -78.3 -47.24 18.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.593 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . 24.4 m-70 -133.94 94.89 17.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -47.51 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.712 2.275 . . . . 0.0 112.364 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -92.98 33.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.593 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . . . -77.9 169.63 17.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.1 p -107.29 56.65 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.459 HG11 ' NZ ' ' A' ' 35' ' ' LYS . 11.8 p -93.92 134.41 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -103.03 136.83 42.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.408 ' CD2' ' N ' ' A' ' 46' ' ' SER . 10.4 p90 -50.64 -56.67 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.408 ' N ' ' CD2' ' A' ' 45' ' ' PHE . 32.8 t -55.96 -55.64 30.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -51.97 -33.63 38.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -78.49 -25.72 45.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 t -72.99 -55.87 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -60.38 -21.36 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -79.63 -33.59 41.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 m -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.9 t -66.7 -59.7 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.477 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 7.8 pt-20 -67.98 -20.88 65.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' O ' HG22 ' A' ' 58' ' ' THR . 75.3 mtt-85 -80.6 -35.99 33.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.584 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 28.4 t-105 -72.95 -36.74 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 12.7 ptmm? -72.25 -37.0 69.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 55' ' ' ARG . 4.6 t -76.09 -2.61 31.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.2 mtm -85.54 116.99 24.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.7 p -58.06 158.25 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.56 -38.9 21.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.8 mtmm -57.84 -38.87 76.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -72.32 -30.25 64.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.499 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 77.6 mttt -82.47 -28.23 31.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -43.28 -64.95 1.6 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -50.69 -50.96 53.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.488 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 15.8 m-85 -53.38 -39.39 64.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -62.4 -36.22 81.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -73.79 -61.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.417 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 6.1 mtm -48.52 -51.07 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.12 -44.61 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -57.21 -28.92 63.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 70' ' ' MET . . . -62.58 -31.72 72.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.15 0 CA-C-O 120.775 0.24 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -100.73 169.66 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.27 -46.86 46.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.485 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 6.1 t80 -65.31 -33.6 76.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 114' ' ' SER . 8.4 t80 -75.44 -32.59 60.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.3 mt -69.16 -48.79 61.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.531 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 1.5 t80 -64.8 -58.51 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.669 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.7 p -54.92 -31.3 60.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 14.2 t -74.55 -35.76 63.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -78.91 -21.89 46.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -96.43 -17.27 20.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.634 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 11.5 ttp180 -56.36 -52.33 73.96 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.582 0.706 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.5 Cg_endo -69.74 -1.61 8.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.364 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -103.78 -36.73 7.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 21.1 pt -91.41 -37.98 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -56.54 -37.3 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.46 -30.11 41.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.536 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.69 -45.9 49.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.648 ' CB ' HD12 ' A' ' 127' ' ' LEU . 15.6 m-70 -109.85 88.82 7.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.553 0.692 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.5 Cg_endo -69.76 -6.32 18.32 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -91.26 -40.15 5.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.648 HD12 ' CB ' ' A' ' 124' ' ' HIS . 22.2 mt -57.48 127.41 31.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 129' ' ' ILE . 82.8 p -100.66 162.43 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 128' ' ' SER . 18.3 mt -36.5 -37.63 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.32 -52.86 43.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 134' ' ' LYS . 2.3 m-20 -71.11 -58.33 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 131' ' ' ASP . 54.5 t -34.28 -44.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.05 89.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 131' ' ' ASP . 31.5 tptt -62.9 -23.0 67.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -76.41 -30.41 57.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.669 HD13 ' HB2' ' A' ' 113' ' ' CYS . 10.0 mt -88.77 -39.22 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -52.65 -39.81 54.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -81.43 -36.31 29.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.1 -42.29 98.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.531 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 13.0 t-105 -68.46 -35.11 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -72.19 -27.53 62.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -89.17 -36.42 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 20.6 m -42.72 148.95 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -81.6 152.54 27.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.52 83.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -57.38 -36.2 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.78 -19.44 62.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.474 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 27.2 mttp -92.75 -18.39 22.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.515 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.7 tt0 -34.78 -59.09 0.63 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.523 0.677 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.8 Cg_endo -69.77 -45.16 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.655 2.237 . . . . 0.0 112.379 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 15.0 m-85 -53.63 -31.65 48.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.01 -53.79 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -50.24 -36.9 33.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -75.61 -50.9 14.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.86 -18.41 8.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -75.74 -60.9 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 158' ' ' LEU . 12.7 pttt -49.71 -38.58 33.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.482 ' N ' ' HG3' ' A' ' 157' ' ' LYS . 12.6 mt -59.54 -40.51 87.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -48.38 -39.42 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -51.95 -53.08 45.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -50.29 -24.92 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.932 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.614 ' HE3' ' CG ' ' A' ' 25' ' ' PHE . 8.8 mtm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.735 0.302 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -108.71 -176.65 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -57.04 -48.95 77.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 27' ' ' VAL . 84.7 t80 -64.65 -60.24 3.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.464 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -41.24 -40.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CG ' ' HE3' ' A' ' 20' ' ' MET . 9.7 m-85 -78.32 -55.0 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -47.48 -31.76 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 23' ' ' TYR . 87.2 t -73.11 -32.21 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -92.29 -15.43 27.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.0 m -86.71 -46.64 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.5 p -67.82 -33.87 75.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -59.69 -46.14 89.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 50.0 mm-40 -71.99 -48.27 46.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -49.84 -31.73 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -68.73 -60.43 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.22 -25.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -82.41 -40.54 21.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -69.45 -43.78 72.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -134.8 94.67 16.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.7 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.638 2.225 . . . . 0.0 112.372 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.85 -37.96 60.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.22 124.59 23.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.8 m -104.14 95.63 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.501 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 12.0 p -90.2 128.7 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -67.44 160.08 28.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -84.08 -47.97 10.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -57.64 -46.92 83.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.564 ' CD ' ' N ' ' A' ' 48' ' ' PHE . 2.1 pp20? -62.61 -45.7 91.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.564 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 11.9 t80 -53.89 -26.11 23.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.2 t -71.7 -50.81 26.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -61.15 -19.56 61.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -87.29 -57.42 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.0 p -46.97 -25.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.6 t -67.62 -71.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.22 -17.67 64.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -84.01 -22.18 31.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.582 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 24.1 t-105 -88.72 -36.7 16.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -70.0 -27.22 64.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.2 t -88.41 7.41 32.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.9 mtp -94.57 112.66 24.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.5 m -53.22 155.97 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.09 -38.22 11.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -56.47 -48.81 76.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.73 -51.16 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.57 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 92.4 mttt -61.37 -34.04 74.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -34.99 -66.95 0.3 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.546 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 7.9 ptpp? -48.03 -31.69 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.338 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.61 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 81.4 m-85 -83.83 -23.13 31.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -81.61 -20.81 38.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -93.62 -36.32 12.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.61 ' HE3' ' HA ' ' A' ' 67' ' ' PHE . 8.8 ptp -75.2 -23.09 57.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.37 -45.22 23.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 7.5 ptmt -60.39 -35.4 75.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -57.79 -31.58 66.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.9 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.466 -0.106 0 CA-C-O 120.823 0.26 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.1 m -126.99 171.52 11.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.39 -64.41 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.501 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 10.7 t80 -45.39 -51.59 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -57.57 -43.02 84.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.85 -56.26 18.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.657 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.3 OUTLIER -57.34 -47.61 81.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.423 ' HA ' HD22 ' A' ' 136' ' ' LEU . 1.4 p -65.67 -32.9 74.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.2 m -71.67 -18.32 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -99.37 -15.88 18.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.623 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 3.1 m-85 -97.07 -40.83 8.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.577 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 0.4 OUTLIER -44.04 -55.26 9.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 110.884 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.2 Cg_endo -69.76 -16.37 37.54 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.353 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -88.28 -30.1 19.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 121' ' ' LYS . 12.4 pt -94.26 -47.15 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.469 ' N ' HG13 ' A' ' 120' ' ' ILE . 0.8 OUTLIER -44.0 -41.13 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.71 -36.53 75.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.472 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -71.86 -40.8 68.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -112.19 90.47 13.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.599 0.714 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -9.64 26.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -85.39 -39.1 8.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 131' ' ' ASP . 92.4 mt -62.15 132.83 54.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 129' ' ' ILE . 23.1 t -106.5 163.29 12.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 128' ' ' SER . 51.1 mt -34.5 -38.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.09 -56.38 16.33 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.554 ' HB3' HD22 ' A' ' 127' ' ' LEU . 7.2 m-20 -65.57 -61.19 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.359 . . . . 0.0 110.817 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 131' ' ' ASP . 89.6 t -34.52 -39.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.502 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -61.05 -48.97 79.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 131' ' ' ASP . 4.4 ttpm? -53.43 -36.89 62.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 139' ' ' MET . 9.2 tptt -64.85 -31.94 73.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 133' ' ' ALA . 8.7 mt -81.62 -35.11 30.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.86 -44.43 97.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.485 ' O ' ' ND2' ' A' ' 142' ' ' ASN . 13.2 pt-20 -78.28 -46.81 19.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 14.3 mmm -44.64 -58.17 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.657 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 7.2 t-105 -52.29 -51.29 59.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -51.92 -34.47 41.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 138' ' ' GLU . 19.8 m-80 -102.04 41.35 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 48.5 m -109.4 142.37 40.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -74.66 136.97 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -51.97 -41.75 62.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -58.74 -34.0 70.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -73.14 -18.19 61.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.578 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 30.5 mttm -91.31 -24.2 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.539 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.8 tt0 -33.6 -58.09 0.56 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.4 Cg_endo -69.77 -25.93 28.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.246 . . . . 0.0 112.329 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.502 ' N ' ' O ' ' A' ' 148' ' ' LYS . 13.7 m-85 -79.76 -21.17 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -94.07 -54.25 3.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -53.52 -41.4 66.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -56.47 15.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.86 -41.26 57.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -51.15 -44.34 61.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -58.09 -46.39 85.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.14 -31.09 69.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -65.56 -48.85 71.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -45.41 -57.65 3.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.94 -34.64 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 25.4 mtp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.814 0.34 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -96.17 -175.17 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -54.69 -53.34 56.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.799 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.453 ' O ' HG23 ' A' ' 27' ' ' VAL . 67.0 t80 -60.86 -62.89 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.58 -36.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 8.0 m-85 -83.15 -40.77 19.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -59.57 -33.07 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.488 HG13 ' SG ' ' A' ' 52' ' ' CYS . 45.4 t -68.38 -27.75 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.066 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.445 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 4.6 tt0 -91.54 -17.36 25.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.5 m -82.5 -32.72 28.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.1 m -84.12 -33.05 24.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.445 ' NE ' ' HA ' ' A' ' 28' ' ' GLN . 6.7 ptp180 -70.43 -37.97 74.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -73.9 -44.33 55.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.33 -34.01 70.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -58.42 -66.59 0.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -43.07 -30.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -74.0 -48.69 28.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.0 mmtt -62.77 -41.69 99.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -133.96 94.63 18.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.553 0.692 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -36.0 11.67 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.344 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.61 -34.26 69.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.77 118.82 16.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -102.91 96.16 6.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.3 p -85.75 142.07 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -80.05 152.61 29.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -70.96 -57.64 4.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -50.77 -53.62 30.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -57.09 -40.01 76.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.496 ' CE2' ' SG ' ' A' ' 52' ' ' CYS . 49.8 t80 -67.44 -35.06 78.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' A' ' 50' ' ' LYS . 3.0 p -53.56 -58.57 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' N ' ' OG ' ' A' ' 49' ' ' SER . 3.5 ptmm? -58.48 -19.49 37.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -81.78 -26.88 34.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.496 ' SG ' ' CE2' ' A' ' 48' ' ' PHE . 94.3 m -79.79 -26.86 40.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -70.71 -49.2 49.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -76.41 -14.65 60.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.5 mtt-85 -90.42 -28.93 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.521 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 47.4 t-105 -77.58 -38.57 48.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -70.23 -39.71 74.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.5 t -66.68 -40.4 88.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.3 mtm -51.28 110.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.0 m -47.6 175.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.33 -27.92 69.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -70.46 -56.56 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -50.27 -29.71 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.521 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 97.0 mttt -80.2 -28.84 38.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.8 -55.13 3.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -54.26 -36.65 63.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -78.25 -28.05 47.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.2 -30.43 64.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -84.55 -42.78 15.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.1 ptp -63.23 -27.28 69.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.98 -45.78 73.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -54.39 -53.41 54.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.93 82.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.152 0 CA-C-O 120.787 0.245 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 108' ' ' ALA . 5.2 p -118.49 154.13 33.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -34.56 -43.82 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.597 ' CE1' ' SG ' ' A' ' 113' ' ' CYS . 23.8 t80 -58.03 -61.21 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -47.35 -43.24 22.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 114' ' ' SER . 68.0 mt -60.61 -66.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.6 ' CE2' ' CZ ' ' A' ' 116' ' ' TYR . 0.4 OUTLIER -41.38 -45.0 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.855 ' HB3' HD13 ' A' ' 136' ' ' LEU . 13.4 m -67.67 -34.34 76.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 111' ' ' LEU . 11.1 t -65.1 -14.82 61.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -101.36 -31.24 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.6 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 5.2 m-85 -81.58 -35.8 29.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.582 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 7.8 ttm180 -45.67 -55.62 12.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.0 Cg_endo -69.71 -14.74 36.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.382 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -97.11 -19.36 18.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.405 HD11 ' HA ' ' A' ' 117' ' ' ARG . 3.4 pt -101.76 -48.63 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.403 ' N ' ' CG1' ' A' ' 120' ' ' ILE . 26.2 ttpp -48.51 -43.6 35.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.82 -36.25 86.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -70.0 -41.91 73.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.784 ' HB2' HD12 ' A' ' 127' ' ' LEU . 63.9 m-70 -111.86 92.89 18.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.9 Cg_endo -69.7 -7.47 21.12 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -93.61 -31.58 8.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.784 HD12 ' HB2' ' A' ' 124' ' ' HIS . 17.0 mt -60.24 134.81 57.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.8 t -107.98 166.99 10.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 56.9 mt -44.18 -36.34 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.52 -50.52 36.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 132' ' ' VAL . 11.7 m-20 -69.02 -58.62 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 131' ' ' ASP . 53.8 t -36.14 -45.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.85 -59.72 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.24 -36.55 9.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -63.51 -33.18 75.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.855 HD13 ' HB3' ' A' ' 113' ' ' CYS . 22.1 mt -82.38 -25.09 34.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.419 ' O ' ' ND2' ' A' ' 141' ' ' ASN . . . -68.74 -44.31 70.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.494 ' OE1' ' ND2' ' A' ' 142' ' ' ASN . 2.1 pp20? -71.52 -35.64 70.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 30.7 mtt -54.8 -64.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.535 ' CD1' ' HB2' ' A' ' 109' ' ' PHE . 1.7 t-105 -47.56 -38.78 14.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 137' ' ' GLY . 62.7 m-80 -72.66 -24.19 61.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ASN . . . . . 0.494 ' ND2' ' OE1' ' A' ' 138' ' ' GLU . 21.3 p30 -111.29 26.91 10.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.4 m -110.97 138.9 46.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.63 144.59 45.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.044 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.84 -38.74 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -55.21 -35.33 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -73.45 -14.81 61.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -98.03 2.75 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.517 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.9 tt0 -51.06 -58.84 9.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.75 -21.57 33.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.728 2.286 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.523 ' CZ ' ' HA ' ' A' ' 112' ' ' PHE . 22.5 m-85 -85.21 -22.9 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -92.52 -53.41 4.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -51.05 -47.41 61.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -49.32 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -49.12 -30.59 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.95 -59.88 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -50.74 -26.59 5.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.84 -38.97 31.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 160' ' ' GLU . 0.3 OUTLIER -61.57 -48.63 80.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 161' ' ' LYS . 10.6 pt-20 -61.07 -50.82 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 160' ' ' GLU . 2.7 mmmp? -52.38 -21.18 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.7 mtp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' SER . 3.6 t -93.32 156.78 16.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' SER . 1.9 m -36.69 -67.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.481 ' CD1' ' CG ' ' A' ' 56' ' ' TRP . 39.8 t80 -51.97 -46.08 64.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.946 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.48 -34.78 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -80.95 -44.12 18.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -55.23 -16.89 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.0 t -92.38 -26.93 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -91.95 -23.52 19.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 m -77.17 -64.98 1.01 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.5 m -51.34 -40.78 59.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 7.4 ptm180 -64.83 -38.24 90.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 36' ' ' LYS . 6.2 mm-40 -78.46 -21.46 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -80.89 -32.84 34.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LYS . 1.5 t-80 -59.84 -57.54 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -39.54 -29.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.4 OUTLIER -80.51 -41.32 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' HIS . 17.7 mmtp -69.75 -43.2 72.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.583 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 15.6 m-70 -134.73 93.99 17.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.612 0.72 . . . . 0.0 110.826 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.358 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.83 33.79 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.583 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . . . -89.43 178.59 6.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.8 m -127.78 101.99 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 p -126.31 144.22 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -103.62 179.43 4.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -98.42 -50.87 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -64.06 -20.59 66.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -85.64 -43.86 13.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 7.6 t80 -64.41 -23.49 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -82.95 -42.12 18.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.9 pttt -72.57 -20.99 61.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -86.49 -38.56 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.4 p -69.28 -24.63 63.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -75.85 -40.2 55.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -84.01 -14.03 51.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' HA ' HG22 ' A' ' 58' ' ' THR . 43.3 mtt-85 -91.17 -45.85 8.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.576 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 41.4 t-105 -58.51 -33.1 69.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.21 -40.04 46.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.941 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 58' ' ' THR . 1.2 t -80.21 12.69 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.9 mtm -95.6 111.83 23.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 64.7 m -47.21 161.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.88 -29.99 56.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -68.58 -52.45 31.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -51.92 -35.38 45.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 90.8 mttt -80.6 -32.61 36.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -36.6 -54.7 1.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.451 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -54.37 -56.35 19.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 31.0 m-85 -54.96 -33.78 62.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.93 -32.06 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -79.74 -39.44 31.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.401 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 5.0 mtm -70.3 -43.07 71.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 22' ' ' SER . . . -60.86 -48.25 82.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.453 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 13.3 pttm -64.55 -45.4 87.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.453 ' N ' ' CG ' ' A' ' 72' ' ' LYS . . . -70.05 -29.76 66.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.09 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 70' ' ' MET . 52.1 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.796 0.248 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 109' ' ' PHE . 41.9 p -111.63 154.79 24.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.4 -32.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.522 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 7.7 t80 -73.51 -55.86 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -57.36 -36.81 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 43.3 mt -63.1 -55.04 28.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.547 ' HB2' ' CE2' ' A' ' 151' ' ' TYR . 0.9 OUTLIER -56.61 -55.7 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.949 ' HB2' HD13 ' A' ' 136' ' ' LEU . 4.1 p -59.5 -31.15 69.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 t -65.9 -24.09 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -90.26 -23.4 21.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -98.51 -11.86 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.644 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 13.6 ttp180 -60.23 -52.3 74.16 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.63 0.729 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.1 Cg_endo -69.78 3.22 2.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -103.24 -50.41 3.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.492 ' CD1' HD21 ' A' ' 136' ' ' LEU . 9.3 pt -80.27 -37.93 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -51.6 -36.82 47.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.82 -16.4 75.27 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -87.26 -42.99 12.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -112.58 92.2 19.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.542 0.687 . . . . 0.0 110.83 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 1.71 4.16 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -98.98 -41.03 3.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.3 mt -52.42 119.61 4.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 130' ' ' GLY . 89.7 p -90.43 159.26 16.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' SER . 28.7 mt -33.71 -36.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 128' ' ' SER . . . -72.43 -54.35 7.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 132' ' ' VAL . 9.0 m-20 -60.04 -58.23 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ASP . 56.8 t -36.27 -51.88 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.54 20.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -53.1 -20.82 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 16.4 tptm -78.77 -42.64 27.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.949 HD13 ' HB2' ' A' ' 113' ' ' CYS . 5.7 mt -74.4 -12.16 60.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.36 -38.51 95.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 0.7 OUTLIER -66.67 -40.78 88.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.377 . . . . 0.0 110.908 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -57.58 -57.74 11.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.522 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 2.3 t-105 -52.58 -37.37 57.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -74.76 -29.59 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -103.72 27.54 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.5 m -120.07 109.37 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -44.24 139.34 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -54.01 -25.93 23.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -59.37 -36.48 75.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -71.2 -22.79 61.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.481 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 75.6 mttt -86.88 -4.48 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.507 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.2 tt0 -43.23 -59.63 3.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.538 0.685 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.8 Cg_endo -69.79 -26.77 27.1 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.354 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 10.6 m-85 -74.11 -27.79 61.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -91.53 -50.86 5.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -51.22 -41.03 60.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -68.08 -63.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -41.35 -37.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -53.68 -62.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -43.52 -57.95 2.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 78.8 mt -44.93 -46.54 11.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -43.07 -57.11 3.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -40.9 -43.32 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -60.74 -45.58 93.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.573 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 46.0 mtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.761 0.315 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' SER . 84.3 p -78.55 155.75 29.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' SER . 0.9 OUTLIER -36.0 -47.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 -179.806 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.499 ' O ' HG23 ' A' ' 27' ' ' VAL . 57.6 t80 -66.67 -56.35 11.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -42.24 -42.2 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.043 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 2.5 m-85 -80.94 -49.16 11.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.545 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -51.09 -33.41 25.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 23' ' ' TYR . 84.1 t -69.56 -32.83 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -91.5 -19.58 22.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.9 m -82.93 -48.9 10.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 m -65.82 -34.01 77.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 14.0 ptt180 -72.73 -44.73 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 33' ' ' GLU . 4.3 pt-20 -67.21 -46.74 72.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 10.3 mt-10 -52.0 -37.13 52.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' LYS . 2.5 t-80 -60.52 -63.58 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -38.31 -31.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.906 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' HIS . 1.9 mptp? -77.28 -47.32 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' HIS . 26.3 mmtm -63.08 -43.02 99.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 29.5 m-70 -134.2 94.36 18.11 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.54 0.686 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.9 Cg_endo -69.74 -45.66 1.52 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -54.92 -42.19 71.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.19 126.92 29.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -106.92 104.74 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.9 p -99.08 133.31 42.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -74.6 162.82 28.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -89.32 -51.22 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 m -53.88 -44.34 70.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -67.66 -50.66 56.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 15.8 t80 -41.76 -36.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -53.78 -45.07 70.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.86 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -77.66 -60.54 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.5 p -47.96 -31.42 5.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.1 t -68.17 -61.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -63.36 -24.16 67.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.471 ' HA ' ' CG2' ' A' ' 58' ' ' THR . 26.9 mtt-85 -82.84 -32.72 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.489 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 35.1 t-105 -67.8 -38.02 82.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -72.34 -51.38 20.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.504 HG23 ' N ' ' A' ' 59' ' ' MET . 6.0 t -55.84 -48.29 75.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.504 ' N ' HG23 ' A' ' 58' ' ' THR . 5.4 mtm -35.72 120.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 90.8 p -65.03 154.26 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.13 -44.53 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.067 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -49.82 -56.46 10.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -52.91 -60.05 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 81.1 mttt -49.74 -36.83 26.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -42.15 -72.48 0.28 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 3.4 pttm -47.26 -36.34 8.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.324 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.545 ' CD1' ' HB2' ' A' ' 26' ' ' PHE . 25.2 m-85 -70.74 -29.29 65.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -79.6 -42.65 24.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -65.55 -36.79 84.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 17.0 ptp -76.77 -35.74 57.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.98 -45.77 63.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 12.3 ptmt -56.18 -34.64 66.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -48.94 -42.06 35.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.778 0.241 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -123.3 175.83 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.37 -53.52 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.489 ' HB2' ' NE1' ' A' ' 140' ' ' TRP . 14.0 t80 -45.0 -70.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 109' ' ' PHE . 52.5 t80 -37.9 -42.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.21 -44.27 76.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 113' ' ' CYS . 0.7 OUTLIER -66.07 -54.91 19.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.523 ' HB2' HD13 ' A' ' 136' ' ' LEU . 0.8 OUTLIER -60.72 -34.36 74.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.4 t -71.52 -33.2 68.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -82.33 -21.72 35.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -93.54 -30.92 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.652 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 8.4 ttp180 -43.59 -51.75 15.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.1 Cg_endo -69.83 -19.5 35.7 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.348 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -85.51 -68.31 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 121' ' ' LYS . 41.7 pt -51.32 -36.34 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.445 ' N ' HG13 ' A' ' 120' ' ' ILE . 26.2 ttpp -57.78 -47.27 83.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -65.99 -38.65 94.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.82 -42.8 90.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 36.3 m-70 -110.11 94.62 18.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.8 Cg_endo -69.75 3.17 2.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.378 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -104.97 -41.8 1.9 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.44 ' HB3' HG22 ' A' ' 132' ' ' VAL . 69.8 mt -48.27 124.72 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.355 . . . . 0.0 110.913 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 129' ' ' ILE . 49.9 m -97.39 158.51 15.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 128' ' ' SER . 43.1 mt -33.99 -39.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.24 -53.96 12.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 132' ' ' VAL . 20.4 m-20 -66.18 -54.88 19.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' ' 127' ' ' LEU . 98.6 t -35.96 -44.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.04 -51.69 68.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.436 ' HE3' ' N ' ' A' ' 134' ' ' LYS . 0.1 OUTLIER -46.25 -39.41 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.1 -33.94 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 113' ' ' CYS . 16.5 mt -86.59 -24.59 25.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -67.75 -41.25 89.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.76 -42.93 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 37.6 mtp -46.52 -54.29 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.553 ' CH2' ' HG2' ' A' ' 148' ' ' LYS . 5.3 t-105 -54.29 -50.32 67.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -50.49 -39.64 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -100.4 38.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 66.0 m -111.27 134.6 52.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.57 162.28 25.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.39 87.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.94 -48.88 60.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.463 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 9.7 t70 -60.59 -18.23 51.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.553 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 59.9 mttt -102.16 19.27 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.537 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.3 tt0 -68.5 -57.46 8.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 110.948 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.7 Cg_endo -69.79 -34.53 14.28 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.413 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 26.0 m-85 -67.95 -36.19 79.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -77.04 -52.52 9.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 35.6 mttt -53.72 -51.5 63.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.83 -59.91 4.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -37.11 -36.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -53.21 -50.26 65.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.088 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -54.2 -51.37 64.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 159' ' ' LYS . 20.9 mt -49.78 -54.48 18.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 158' ' ' LEU . 31.6 tttp -37.03 -42.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -40.26 -51.16 2.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -52.58 -52.4 55.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 31.8 t80 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.425 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 41.3 mtp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -96.9 157.07 16.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.2 p -38.47 -45.24 1.02 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -61.07 -57.4 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.47 -39.91 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 17.5 m-85 -77.8 -57.99 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -45.12 -42.52 8.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.2 -30.02 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.39 -14.38 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.8 m -83.05 -35.97 25.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.7 p -77.86 -34.28 51.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -68.82 -37.4 79.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.539 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 8.0 pt-20 -71.7 -50.28 31.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.539 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 11.3 mt-10 -54.01 -39.86 66.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' LYS . 53.8 t60 -64.16 -67.73 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -41.52 -24.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' HIS . 17.0 mmmt -81.27 -45.99 15.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -67.47 -42.53 82.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 14.6 m-70 -132.94 94.52 20.71 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.592 0.71 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 54.5 Cg_endo -69.68 -45.36 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.7 2.267 . . . . 0.0 112.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -59.38 -40.09 85.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.44 106.81 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.2 m -92.54 89.53 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 p -90.14 141.7 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -76.7 176.23 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 46' ' ' SER . 25.8 p90 -88.91 -47.7 7.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 25.5 t -61.83 -39.14 90.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.05 -41.29 99.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -75.41 -34.75 61.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m -60.53 -58.28 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -57.7 -25.29 60.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.75 -43.11 26.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.0 p -67.75 -29.81 69.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.2 t -66.37 -49.53 66.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -77.61 -21.23 52.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.523 ' HA ' HG22 ' A' ' 58' ' ' THR . 78.6 mtt180 -82.97 -23.98 33.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.497 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 48.1 t-105 -80.53 -35.48 34.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -80.22 -30.2 38.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 55' ' ' ARG . 14.1 t -75.03 -27.69 60.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.3 mtm -64.97 128.09 34.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.2 m -68.25 168.37 12.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.07 -49.29 66.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -48.64 -38.2 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -70.9 -44.35 66.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 71.0 mttt -69.02 -25.42 64.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -38.93 -67.72 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.4 pttm -56.74 -37.51 71.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 26' ' ' PHE . 33.5 m-85 -67.08 -23.16 65.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -78.33 -47.37 17.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -70.63 -55.82 7.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.481 ' HE2' ' HB3' ' A' ' 70' ' ' MET . 8.7 ptp -48.65 -31.56 6.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.73 75.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -55.85 -37.53 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.61 -38.02 30.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.0 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.538 ' HB2' ' CD1' ' A' ' 110' ' ' PHE . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.125 0 CA-C-O 120.823 0.26 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.3 p -115.11 178.73 4.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.62 -37.44 63.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.48 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 3.0 t80 -62.75 -48.34 79.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 106' ' ' PRO . 4.0 t80 -58.7 -45.87 88.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.8 mt -60.11 -46.01 91.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.586 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -64.34 -49.66 70.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.688 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.7 p -61.8 -29.46 70.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.9 t -76.47 -16.26 59.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -101.44 -15.83 17.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.432 ' HA ' ' HB3' ' A' ' 119' ' ' LYS . 6.8 m-85 -103.89 -44.18 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.588 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 6.4 ttt180 -38.28 -55.21 2.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.617 0.723 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.6 Cg_endo -69.71 -28.06 25.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 116' ' ' TYR . 7.8 tttt -70.68 -55.45 8.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 21.2 pt -67.58 -32.43 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -56.9 -46.98 81.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -66.69 -35.22 89.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -45.07 71.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.918 ' HB2' HD12 ' A' ' 127' ' ' LEU . 68.7 m-70 -108.55 93.32 11.61 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 0.1 6.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -100.84 -35.76 4.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.918 HD12 ' HB2' ' A' ' 124' ' ' HIS . 23.2 mt -50.58 127.71 18.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 131' ' ' ASP . 4.3 m -96.15 155.92 16.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 39.7 mt -40.39 -35.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -66.58 -39.26 93.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 134' ' ' LYS . 1.6 m-20 -79.93 -61.63 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 131' ' ' ASP . 72.4 t -32.75 -34.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 131' ' ' ASP . . . -77.88 -46.24 21.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 131' ' ' ASP . 8.6 ptpt -56.33 -35.07 67.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 42.1 mttt -68.87 -27.5 65.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' A' ' 113' ' ' CYS . 52.7 mt -82.88 -35.74 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -55.87 -39.73 78.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.471 ' O ' ' ND2' ' A' ' 142' ' ' ASN . 11.1 pt-20 -89.17 -41.95 11.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 110.83 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 13.3 mmm -43.52 -49.96 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.586 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 7.5 t-105 -59.73 -52.54 65.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -48.36 -43.67 33.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 138' ' ' GLU . 45.3 m-80 -72.79 -36.0 67.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 22.1 m -52.2 125.93 17.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.54 165.58 9.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.078 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.48 -32.22 72.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.95 -49.17 77.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -58.83 -12.47 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.484 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 84.9 mttt -99.86 20.86 13.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.525 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.8 tt0 -67.57 -58.15 8.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.624 0.726 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.74 -14.91 36.82 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.297 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -92.73 -52.96 4.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.61 -54.41 43.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 23.5 mmtt -58.95 -41.38 87.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 150' ' ' PRO . 6.4 mmmt -57.11 -58.71 7.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -48.41 -40.13 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -48.34 -47.72 36.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -58.48 -45.01 89.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.28 -45.01 94.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -47.29 -34.15 6.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -57.96 -42.42 84.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -63.52 -20.16 65.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 7.7 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 19.3 mtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 22' ' ' SER . 4.4 t -86.32 163.8 17.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.438 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 3.7 m -36.36 -62.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.582 ' O ' HG23 ' A' ' 27' ' ' VAL . 47.9 t80 -54.76 -58.72 6.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.975 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.36 -39.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 4.1 m-85 -81.06 -59.81 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.56 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -42.5 -44.26 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.777 HG13 ' SG ' ' A' ' 52' ' ' CYS . 66.0 t -56.78 -35.46 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -89.35 -15.49 33.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 m -77.86 -29.15 50.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 p -82.35 -47.88 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 7.8 ptm180 -47.39 -44.35 24.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 19.7 mt-10 -61.65 -43.02 99.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -57.75 -33.45 68.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' LYS . 23.3 t-80 -68.08 -58.65 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -42.1 -25.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.931 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 34' ' ' HIS . 18.6 mmtp -80.08 -42.29 23.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' HIS . 4.3 mmpt? -71.23 -45.41 63.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 9.1 m-70 -134.23 93.49 19.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.711 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.79 -49.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -59.72 -33.89 72.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.4 122.57 21.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.2 p -99.38 71.06 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 43' ' ' VAL . 4.7 p -42.72 125.1 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.9 136.24 56.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -68.49 -58.89 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.0 m -44.64 -48.65 10.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -66.49 -51.27 58.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -41.38 -40.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.1 t -45.75 -53.19 9.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -52.4 -28.59 20.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.401 ' O ' ' HD2' ' A' ' 55' ' ' ARG . 3.6 tptt -73.38 -55.01 6.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.777 ' SG ' HG13 ' A' ' 27' ' ' VAL . 73.0 m -54.98 -36.77 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.6 p -66.89 -57.7 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -58.84 -22.5 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.44 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.0 OUTLIER -86.7 -41.53 14.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.512 ' CD2' ' HE2' ' A' ' 64' ' ' LYS . 74.0 t-105 -67.9 -36.15 79.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 58' ' ' THR . 13.9 ptmt -72.12 -42.6 65.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.478 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 15.2 t -74.64 -40.92 61.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.439 ' N ' HG23 ' A' ' 58' ' ' THR . 3.4 mtm -50.05 122.49 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 p -76.38 175.39 9.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.28 -38.45 65.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 19.0 pttp -52.27 -44.53 65.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 62' ' ' LYS . 5.6 mm-40 -72.32 -58.35 3.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.512 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 71.2 mttt -53.01 -30.1 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.38 -78.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 46.7 pttt -41.51 -49.82 3.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 14.0 m-85 -54.22 -39.49 66.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.72 -34.67 77.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -73.89 -37.86 64.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.6 mtm -69.09 -48.55 62.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' A' ' 22' ' ' SER . . . -58.2 -43.68 87.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 10.0 ptmt -70.23 -35.63 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -57.14 -37.02 71.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.45 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.744 0.227 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 110' ' ' PHE . 68.4 m -118.34 157.68 26.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.443 ' HB1' ' HZ2' ' A' ' 140' ' ' TRP . . . -36.07 -55.13 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.081 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.56 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 8.1 t80 -53.4 -37.87 62.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 107' ' ' SER . 10.4 t80 -69.77 -54.18 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 41.0 mt -50.31 -49.14 54.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.458 ' CE2' ' CZ ' ' A' ' 116' ' ' TYR . 2.1 t80 -60.41 -56.15 24.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.588 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.9 p -57.5 -29.57 64.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.0 t -73.18 -22.45 60.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -94.76 -21.61 18.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.458 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 4.7 m-85 -94.28 -22.13 18.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.645 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 7.3 ttp180 -52.55 -52.04 67.45 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.645 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.76 -4.33 13.8 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -98.83 -37.88 9.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.9 pt -89.58 -36.85 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -56.66 -42.45 78.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -71.4 -35.6 63.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -70.76 -43.73 68.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.382 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.85 ' HB2' HD12 ' A' ' 127' ' ' LEU . 21.9 m-70 -112.28 91.34 16.04 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.632 0.729 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -18.08 37.27 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.644 2.229 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.01 -41.11 10.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.85 HD12 ' HB2' ' A' ' 124' ' ' HIS . 48.6 mt -48.06 127.48 12.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 129' ' ' ILE . 10.3 p -96.25 159.34 15.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 128' ' ' SER . 69.5 mt -36.27 -44.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.05 -54.43 33.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 132' ' ' VAL . 45.3 m-20 -63.77 -59.21 4.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.824 0.345 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 131' ' ' ASP . 91.6 t -35.8 -39.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.37 -51.28 70.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.27 -38.19 39.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -61.51 -26.96 68.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.588 HD13 ' HB2' ' A' ' 113' ' ' CYS . 11.6 mt -91.18 -32.64 15.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.04 -38.75 77.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 139' ' ' MET . 12.0 pt-20 -80.96 -47.38 13.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.458 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 25.0 mtt -39.46 -57.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.56 ' CD1' ' HB2' ' A' ' 109' ' ' PHE . 2.1 t-105 -55.48 -41.5 73.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -65.92 -24.25 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -100.39 28.36 5.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 16.3 m -113.99 150.35 33.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -92.25 153.13 19.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.105 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -51.24 -41.97 60.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.28 -30.95 69.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.84 12.39 7.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -125.07 -16.86 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.644 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 3.0 tp60 -45.43 -51.64 25.96 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.58 0.705 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.5 Cg_endo -69.76 -38.4 7.86 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.3 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -66.8 -25.22 66.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -93.81 -61.2 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -40.66 -38.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -72.05 -47.36 52.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.48 77.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -48.22 -49.21 33.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -48.58 -42.77 34.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 17.4 mt -72.34 -32.41 66.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -59.34 -43.71 92.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -49.74 -46.42 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -61.38 -46.73 88.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 10.1 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.549 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 8.7 mtm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.754 0.311 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.532 ' H ' ' HB3' ' A' ' 24' ' ' ALA . 74.1 m -105.22 176.43 5.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.8 p -48.43 -57.3 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.521 ' O ' HG23 ' A' ' 27' ' ' VAL . 46.4 t80 -62.46 -55.39 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HB3' ' H ' ' A' ' 21' ' ' SER . . . -46.66 -36.57 7.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.072 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 8.7 m-85 -80.4 -49.17 11.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.511 ' CE1' ' SD ' ' A' ' 59' ' ' MET . 0.5 OUTLIER -51.63 -28.99 16.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 23' ' ' TYR . 98.6 t -72.51 -29.99 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -92.12 -23.86 19.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -71.11 -24.03 62.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 95.8 m -91.64 -37.38 13.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 7.9 ptm180 -65.04 -43.39 92.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 31.5 mt-10 -66.83 -45.87 76.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -64.41 -30.91 71.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' LYS . 39.0 t60 -63.55 -70.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -38.99 -26.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -76.54 -42.24 43.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' HIS . 32.9 mmtt -82.04 -47.91 12.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.958 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 33.1 m-70 -134.51 93.22 18.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 0.0 110.821 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -46.91 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -100.94 36.92 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.958 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . . . -83.68 30.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.5 t 41.63 47.24 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.9 p -79.24 128.19 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -103.74 136.66 43.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -67.1 -44.56 79.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -60.27 -43.78 95.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -67.4 -52.7 36.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -49.34 -35.82 19.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.2 t -63.11 -52.54 62.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 51' ' ' LYS . 21.0 pttt -68.19 -32.01 71.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 27.6 mtmt -67.9 -43.49 79.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.444 ' HB3' HG22 ' A' ' 27' ' ' VAL . 8.7 m -58.67 -35.65 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.4 t -66.21 -58.36 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.89 -17.04 62.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.4 mtt85 -92.49 -23.97 18.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.479 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 59.3 t-105 -83.32 -34.29 25.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -23.47 58.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.9 t -91.05 -28.44 17.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.511 ' SD ' ' CE1' ' A' ' 26' ' ' PHE . 13.9 mtp -57.04 111.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 t -52.95 161.16 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.09 -38.99 55.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -57.03 -39.57 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -70.35 -41.48 73.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 80.5 mttt -71.46 -26.63 62.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.53 -67.48 1.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -50.43 -37.53 38.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.684 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 29.4 m-85 -70.19 -27.22 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.93 -37.41 62.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -75.94 -56.06 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.684 ' HE3' ' HA ' ' A' ' 67' ' ' PHE . 9.6 ptp -53.32 -38.15 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.07 92.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -67.08 -30.82 70.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.8 -23.86 67.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.771 0.238 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 110' ' ' PHE . 3.7 p -112.15 154.73 25.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -35.38 -46.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.591 ' CE1' ' SG ' ' A' ' 113' ' ' CYS . 12.7 t80 -64.5 -44.66 90.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 107' ' ' SER . 27.6 t80 -63.06 -44.3 96.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.5 mt -56.16 -61.97 2.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.557 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 0.6 OUTLIER -50.16 -45.65 53.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.591 ' SG ' ' CE1' ' A' ' 109' ' ' PHE . 89.8 m -61.96 -42.7 99.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 t -67.29 -8.52 32.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -99.3 -35.02 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.459 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 2.8 m-85 -86.6 -34.97 19.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.615 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 7.9 ttt180 -35.51 -53.29 1.32 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.1 Cg_endo -69.73 -31.81 19.9 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 116' ' ' TYR . 0.0 OUTLIER -74.78 -24.99 58.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.666 ' CD1' HG13 ' A' ' 132' ' ' VAL . 47.2 pt -97.53 -33.46 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.43 ' N ' HG13 ' A' ' 120' ' ' ILE . 35.9 ttpt -60.63 -54.07 49.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -56.28 -24.74 46.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -85.18 -51.28 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.385 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -111.62 88.68 9.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -11.74 31.43 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.258 . . . . 0.0 112.36 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -80.11 -43.4 9.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.51 HD13 ' HD3' ' A' ' 135' ' ' LYS . 92.6 mt -56.87 135.89 55.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.9 t -109.33 176.98 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 39.0 mt -44.75 -41.36 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.11 -58.65 9.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 132' ' ' VAL . 66.1 m-20 -65.22 -61.28 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.666 HG13 ' CD1' ' A' ' 120' ' ' ILE . 43.4 t -33.85 -50.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.6 -49.59 61.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 131' ' ' ASP . 1.4 tmtp? -53.38 -35.64 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.51 ' HD3' HD13 ' A' ' 127' ' ' LEU . 1.2 mptp? -68.96 -23.31 64.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.531 HD13 ' HB3' ' A' ' 113' ' ' CYS . 21.0 mt -93.01 -24.2 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.77 -43.09 96.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -70.26 -45.95 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 15.6 mtm -49.22 -46.11 45.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.557 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 2.1 t-105 -61.67 -40.01 93.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -63.49 -41.46 98.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -76.37 -34.36 58.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.4 m -52.84 129.82 31.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.6 145.14 52.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.72 -47.09 67.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -40.22 62.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.17 -22.47 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.537 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 43.7 mttt -86.86 2.56 48.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.505 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.0 tt0 -47.96 -59.45 5.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.706 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.5 Cg_endo -69.74 -18.3 37.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 112' ' ' PHE . 14.7 m-85 -84.06 -28.93 27.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -92.72 -55.21 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -45.76 -40.76 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.65 -47.53 63.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.877 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.29 -11.33 2.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -81.51 -69.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -46.43 -41.85 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.6 -36.68 84.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -70.69 -27.53 64.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -66.2 -47.89 72.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -64.8 -12.31 46.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.475 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 40.8 mtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.783 0.325 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -97.1 164.61 12.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.454 ' HB2' ' CH2' ' A' ' 56' ' ' TRP . 3.5 p -42.78 -43.68 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CE2' HG21 ' A' ' 27' ' ' VAL . 51.9 t80 -67.46 -58.0 5.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.06 -36.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 3.6 m-85 -86.78 -40.59 14.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -60.43 -28.58 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.61 HG21 ' CE2' ' A' ' 23' ' ' TYR . 62.0 t -78.88 -28.52 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -92.07 -20.1 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.1 m -84.74 -54.34 4.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.3 m -61.89 -20.42 63.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 8.9 ptm180 -86.45 -45.66 10.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 0.6 OUTLIER -66.56 -40.51 89.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.56 -41.36 85.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 37' ' ' LYS . 25.1 t60 -55.79 -60.4 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -41.81 -28.8 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -87.05 -33.24 19.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.0 mmpt? -71.72 -35.26 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.424 ' CG ' ' C ' ' A' ' 37' ' ' LYS . 6.4 m80 -155.52 105.07 2.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 110.856 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 54.1 Cg_endo -69.77 -44.14 2.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -53.76 -40.08 65.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.54 114.75 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' VAL . 5.0 t -95.97 49.71 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' SER . 2.8 p -37.87 137.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 7.0 m120 -82.47 108.35 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 3.1 p90 -46.84 -21.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 t -86.61 -40.12 15.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 48' ' ' PHE . 8.5 pt-20 -72.99 -47.52 44.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.479 ' N ' ' CG ' ' A' ' 47' ' ' GLU . 30.8 t80 -52.53 -41.83 63.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' CYS . 16.1 t -63.5 -69.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -40.73 -25.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' SER . 11.2 tttt -82.21 -42.22 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' SER . 4.8 m -48.35 -29.42 3.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.5 t -61.85 -72.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -13.12 61.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' C ' HG22 ' A' ' 58' ' ' THR . 18.7 ttt-85 -85.31 -24.42 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.567 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 16.3 t-105 -81.66 -47.21 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -64.89 -45.5 85.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.433 HG22 ' C ' ' A' ' 55' ' ' ARG . 8.5 t -49.74 -37.4 29.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.7 mtm -52.53 161.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.5 m -103.75 155.86 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.5 -34.68 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -47.97 81.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.16 -31.61 72.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 87.8 mttt -82.02 -25.07 35.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -43.61 -65.86 1.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.435 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -51.7 -42.46 62.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.449 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 12.0 m-85 -64.2 -30.25 71.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -79.79 -36.49 37.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -72.65 -27.51 62.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.789 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.0 ptp -81.78 -27.55 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.58 -41.6 19.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 25.6 pttt -57.44 -38.01 73.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -76.66 -22.01 54.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.796 0.248 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 110' ' ' PHE . 25.5 p -111.36 160.38 17.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -35.31 -42.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.517 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 9.0 t80 -61.39 -46.81 88.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 107' ' ' SER . 17.3 t80 -61.32 -47.21 86.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.1 mt -54.55 -46.58 73.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 113' ' ' CYS . 1.1 t80 -67.83 -60.32 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.547 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.5 p -50.81 -30.4 14.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.2 t -83.3 -27.81 29.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.445 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -81.31 -27.11 35.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.551 ' CD2' ' HD3' ' A' ' 119' ' ' LYS . 3.1 m-85 -93.33 -31.42 14.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.626 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 6.9 ttt180 -36.0 -53.31 1.54 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.4 Cg_endo -69.77 -32.96 17.51 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.26 . . . . 0.0 112.33 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.551 ' HD3' ' CD2' ' A' ' 116' ' ' TYR . 6.3 ptmt -74.57 -23.07 58.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.569 ' CD1' HG13 ' A' ' 132' ' ' VAL . 45.5 pt -96.14 -34.76 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.467 ' N ' HG13 ' A' ' 120' ' ' ILE . 0.0 OUTLIER -57.38 -53.91 52.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.793 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -56.43 -36.48 70.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -71.75 -44.25 64.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.509 ' CB ' HD12 ' A' ' 127' ' ' LEU . 17.0 m-70 -115.24 89.8 22.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.59 0.709 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -18.15 37.06 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.262 . . . . 0.0 112.34 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -78.06 -45.03 10.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.713 HD22 ' HB3' ' A' ' 131' ' ' ASP . 72.4 mt -56.53 130.19 44.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' ILE . 77.6 p -106.23 170.06 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.81 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' SER . 94.2 mt -35.22 -45.36 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -58.69 -61.56 7.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.713 ' HB3' HD22 ' A' ' 127' ' ' LEU . 30.5 m-20 -65.62 -58.45 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 120' ' ' ILE . 93.5 t -35.3 -39.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.36 -44.18 62.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 131' ' ' ASP . 5.9 mmmm -61.16 -19.01 61.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -85.01 -25.56 27.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.554 HD21 HD13 ' A' ' 120' ' ' ILE . 7.3 mt -92.81 -20.49 20.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.33 -39.4 95.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -80.0 -44.01 20.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 4.5 mtt -42.14 -47.51 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.517 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 4.7 t-105 -63.91 -46.87 82.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -52.91 -34.26 54.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -102.28 31.51 3.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 45.9 m -107.73 134.67 50.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.43 140.81 46.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -51.45 -39.17 56.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -37.37 73.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -69.59 -19.51 63.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 152' ' ' GLU . 64.7 mttt -90.73 2.64 55.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.513 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.1 tt0 -48.63 -59.24 6.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.8 Cg_endo -69.76 -27.32 26.61 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -80.95 -20.54 41.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 148' ' ' LYS . 8.8 mt-10 -93.29 -54.45 3.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 86.7 mttt -54.28 -48.87 70.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -55.68 -57.02 13.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -38.66 -38.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -51.67 -64.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -41.3 -61.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 79.7 mt -45.0 -40.92 6.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -44.27 -40.55 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -50.36 -48.74 55.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -51.51 -29.5 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 55.4 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.56 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 34.2 mtp . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -71.23 166.66 21.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.3 p -43.28 -52.17 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.612 ' O ' HG23 ' A' ' 27' ' ' VAL . 67.9 t80 -66.33 -57.39 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.43 -42.87 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 2.3 m-85 -77.58 -61.59 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.454 ' CE1' ' SD ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -40.74 -48.5 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' TYR . 81.6 t -46.98 -38.8 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 6.6 tt0 -88.18 -41.66 12.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 m -47.28 -37.76 11.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.7 m -77.02 -48.62 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.523 HH21 HG12 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -55.09 -33.44 62.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.842 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -75.01 -52.34 11.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -50.96 -40.21 57.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LYS . 7.1 t-80 -60.91 -69.79 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' HIS . 2.3 mptm? -36.36 -32.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -73.5 -49.51 26.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 34' ' ' HIS . 52.2 mmtt -66.56 -43.98 83.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 13.8 m-70 -134.17 94.03 18.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.588 0.709 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.9 Cg_endo -69.69 -47.34 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.734 2.289 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -59.84 -38.46 82.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.57 132.47 21.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 t -100.88 99.8 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 43' ' ' VAL . 9.9 p -94.97 117.79 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 6.0 m120 -63.84 151.88 41.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -76.94 -39.3 51.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 t -72.7 -40.22 66.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 48' ' ' PHE . 9.4 pt-20 -62.14 -46.17 90.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.498 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 5.1 t80 -66.18 -32.79 74.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 t -72.37 -62.98 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -50.32 -37.11 35.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' SER . 30.1 mttp -71.69 -56.52 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' LYS . 4.8 m -36.37 -30.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' LYS . 35.8 t -65.57 -71.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.45 -22.52 65.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -80.56 -29.31 37.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.467 ' CZ2' ' HD3' ' A' ' 64' ' ' LYS . 13.5 t-105 -76.2 -40.13 52.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -66.91 -45.2 78.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.8 t -58.2 -35.33 71.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.454 ' SD ' ' CE1' ' A' ' 26' ' ' PHE . 28.1 mtp -50.43 127.87 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.5 p -65.77 165.02 13.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.41 -38.7 69.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.492 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 33.0 pttt -60.89 -38.26 85.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.492 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 6.6 mm-40 -69.08 -42.48 76.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' HD3' ' CZ2' ' A' ' 56' ' ' TRP . 79.0 mttt -72.26 -34.48 68.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -39.61 -71.57 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.441 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -43.77 -52.72 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 23.2 m-85 -52.32 -42.37 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.87 -48.15 82.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.04 -39.48 78.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.4 mtm -66.73 -55.44 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.16 -51.36 68.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 25.7 pttt -59.58 -43.84 93.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.469 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -61.81 -39.28 91.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.064 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.405 ' HB3' ' CD2' ' A' ' 110' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.778 0.241 . . . . 0.0 112.308 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.85 165.84 12.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.51 -45.53 3.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.534 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 19.6 t80 -58.64 -42.68 88.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' A' ' 114' ' ' SER . 25.7 t80 -68.81 -45.81 70.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.99 -37.09 78.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.585 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -74.1 -56.73 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.723 ' HB2' HD13 ' A' ' 136' ' ' LEU . 4.9 p -61.43 -31.2 71.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 84.5 p -69.06 -24.15 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -95.51 -21.95 17.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.575 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.2 m-85 -89.22 -36.65 15.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.638 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 15.9 ttp180 -41.34 -52.21 7.81 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.72 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.5 Cg_endo -69.81 -19.99 35.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.316 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -81.14 -46.79 14.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 121' ' ' LYS . 11.6 pt -75.77 -44.11 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.166 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.482 ' CD ' ' HA ' ' A' ' 118' ' ' PRO . 17.0 ptmt -40.09 -37.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.446 ' N ' ' HG3' ' A' ' 121' ' ' LYS . . . -78.98 -49.66 6.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.532 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -55.64 -42.8 75.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.42 ' HB2' HD12 ' A' ' 127' ' ' LEU . 37.2 m-70 -113.42 96.97 41.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.7 Cg_endo -69.77 -18.36 37.01 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -78.07 -47.86 8.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.563 ' HB3' HG22 ' A' ' 132' ' ' VAL . 41.2 mt -48.65 116.19 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.326 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.496 ' O ' HG23 ' A' ' 132' ' ' VAL . 1.0 OUTLIER -89.07 166.5 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 128' ' ' SER . 34.6 mt -36.95 -48.1 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.33 -65.96 2.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 132' ' ' VAL . 0.9 OUTLIER -48.57 -59.26 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 127' ' ' LEU . 93.0 t -35.04 -56.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.552 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -55.95 -53.72 53.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 134' ' ' LYS . 0.9 OUTLIER -50.51 -30.68 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 138' ' ' GLU . 3.9 tppp? -68.26 -33.48 74.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.723 HD13 ' HB2' ' A' ' 113' ' ' CYS . 8.6 mt -75.84 -15.64 60.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.91 -47.76 89.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 139' ' ' MET . 2.2 pm0 -78.94 -35.38 43.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.435 ' N ' ' HG2' ' A' ' 138' ' ' GLU . 2.9 mtt -46.3 -45.32 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.585 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 2.0 t-105 -68.99 -44.95 71.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -53.87 -45.96 71.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -70.31 -40.02 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.3 m -50.55 140.0 14.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -84.95 150.07 25.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -49.17 -46.11 44.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -47.14 -52.4 15.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.54 -24.15 44.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.569 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 53.7 mttt -91.12 18.33 6.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.549 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.9 tt0 -67.34 -57.55 10.41 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.77 -33.33 16.75 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.373 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -68.17 -38.42 82.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 153' ' ' LYS . 58.3 mt-10 -78.54 -63.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 152' ' ' GLU . 43.9 mmtt -37.81 -58.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -50.87 -55.98 14.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.68 -45.41 58.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -45.69 -52.94 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -48.63 -57.8 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 159' ' ' LYS . 16.0 mt -47.19 -52.31 16.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 158' ' ' LEU . 18.8 ttpp -37.71 -54.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -38.46 -58.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -49.04 -46.28 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 4.9 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.926 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.518 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 23.5 mtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.773 0.321 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 m -89.7 177.23 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.445 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 3.5 m -47.52 -55.42 9.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.486 ' CE2' HG21 ' A' ' 27' ' ' VAL . 48.2 t80 -60.56 -62.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 23' ' ' TYR . . . -35.44 -42.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.102 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 5.7 m-85 -77.97 -60.93 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -41.57 -49.7 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.486 HG21 ' CE2' ' A' ' 23' ' ' TYR . 81.5 t -47.08 -36.97 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.164 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -90.61 -31.51 16.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.9 m -58.97 -22.49 60.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.1 m -93.09 -34.58 13.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 2.5 ptp180 -67.2 -38.41 85.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 45.6 mt-10 -69.89 -44.69 69.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -58.14 -41.04 82.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 37' ' ' LYS . 2.9 t-80 -62.56 -60.66 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -42.27 -28.02 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -81.74 -41.04 21.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.2 mmpt? -66.68 -39.33 88.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -153.84 105.99 2.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.693 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -53.87 -42.18 68.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.834 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -38.06 102.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -81.4 49.17 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -42.98 145.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 47' ' ' GLU . 6.6 m-80 -82.89 103.59 12.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.479 ' CG ' ' N ' ' A' ' 46' ' ' SER . 8.0 p90 -48.83 -44.75 39.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 80.6 p -58.05 -39.8 79.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 44' ' ' ASN . 21.3 mm-40 -73.76 -39.88 63.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -58.42 -17.12 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 t -84.54 -63.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -27.94 35.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -73.1 -55.69 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.2 m -41.1 -32.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -60.03 -70.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.19 -17.93 65.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -82.82 -27.55 30.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.495 ' CE2' ' HE2' ' A' ' 64' ' ' LYS . 9.8 t-105 -79.09 -45.95 19.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -64.59 -45.58 86.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 59' ' ' MET . 8.7 t -55.46 -43.0 75.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.441 ' N ' HG23 ' A' ' 58' ' ' THR . 7.3 mtm -41.96 130.65 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.466 ' HB3' ' CD ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -60.33 170.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.837 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.81 -53.31 59.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.541 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -52.92 -32.85 47.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.541 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 3.7 mm-40 -71.19 -32.42 68.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 72.8 mttt -81.68 -39.24 24.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -38.02 -69.58 0.33 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -43.15 -51.44 5.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.5 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 13.8 m-85 -55.62 -40.96 72.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -59.27 -34.43 72.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -75.23 -40.32 59.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.5 mtm -64.25 -49.81 70.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.445 ' HB2' ' HA ' ' A' ' 22' ' ' SER . . . -60.56 -52.63 64.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -34.04 73.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.72 82.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.802 0.251 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.3 p -102.28 166.52 10.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.52 -40.9 39.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.472 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 10.8 t80 -59.69 -45.51 91.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.91 -47.11 87.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 66.7 mt -61.05 -40.76 94.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.633 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -68.26 -55.72 11.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.754 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.4 p -63.33 -30.86 71.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -69.41 -22.76 63.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -99.22 -15.53 18.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -95.1 -36.41 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.58 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 2.6 ttm180 -46.16 -55.86 12.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.4 Cg_endo -69.77 -4.62 14.4 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 120' ' ' ILE . 5.0 ttmm -98.08 -58.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.62 ' CD1' HG13 ' A' ' 132' ' ' VAL . 22.7 pt -62.4 -36.02 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.548 ' HZ2' ' HB3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -56.89 -53.45 57.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.808 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -60.12 -48.65 85.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -61.27 -41.49 97.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.854 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.453 ' HB2' HD12 ' A' ' 127' ' ' LEU . 96.8 m-70 -115.95 94.76 42.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.708 . . . . 0.0 110.837 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.8 Cg_endo -69.79 -29.81 23.14 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.234 . . . . 0.0 112.309 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -56.05 -50.56 60.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.453 HD12 ' HB2' ' A' ' 124' ' ' HIS . 38.9 mt -51.6 -174.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 129' ' ' ILE . 8.1 t -165.5 169.36 15.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 128' ' ' SER . 53.9 mt -34.32 -41.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.29 -62.49 3.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 132' ' ' VAL . 0.8 OUTLIER -60.06 -59.36 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.843 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.62 HG13 ' CD1' ' A' ' 120' ' ' ILE . 96.7 t -34.61 -54.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.52 -59.77 3.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.054 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -35.14 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -61.38 -39.65 91.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.754 HD13 ' HB2' ' A' ' 113' ' ' CYS . 25.9 mt -82.47 -24.32 34.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.59 -41.26 99.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 139' ' ' MET . 6.8 pt-20 -85.76 -35.43 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.444 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 52.7 mtp -52.11 -58.72 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.633 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 8.6 t-105 -52.93 -46.03 67.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -52.84 -41.77 64.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -97.6 40.49 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.436 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 26.2 m -114.43 138.76 50.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.4 161.83 25.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.73 84.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.65 -51.88 58.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.436 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 29.7 t0 -57.66 -19.14 24.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.473 ' NZ ' ' CE2' ' A' ' 140' ' ' TRP . 53.7 mttm -98.87 15.93 23.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.536 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.0 tt0 -64.0 -58.15 15.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.565 0.697 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.78 -37.2 9.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 47.1 m-85 -65.7 -38.61 89.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -77.88 -64.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -38.67 -57.76 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -52.1 -53.45 42.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -44.61 -47.44 10.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -47.99 -45.78 32.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -60.97 -47.81 84.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 17.8 mt -49.57 -44.25 46.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -42.92 -55.87 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.77 -46.86 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -58.17 -32.59 68.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m 40.38 41.99 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 p -46.95 101.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.75 -82.62 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -74.38 172.52 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.882 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -172.3 137.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.62 -170.42 15.91 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -58.51 117.21 4.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.93 -94.89 0.1 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -164.99 136.84 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.58 -140.75 5.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -127.98 159.53 66.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -32.11 19.02 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.69 2.26 . . . . 0.0 112.358 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.95 -61.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -74.11 119.82 78.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.698 . . . . 0.0 110.914 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' CE2' ' A' ' 78' ' ' TYR . 53.6 Cg_endo -69.79 92.36 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -93.42 149.97 20.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 152.27 41.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 23.6 mtmt -104.85 115.38 30.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 42.0 mtp -111.79 148.54 33.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.6 p -95.33 -174.8 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 p -51.1 -55.66 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.48 ' CE2' HG21 ' A' ' 27' ' ' VAL . 43.8 t80 -59.19 -63.42 1.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.956 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -38.0 -33.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 5.3 m-85 -87.46 -39.36 15.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -61.72 -46.81 88.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.48 HG21 ' CE2' ' A' ' 23' ' ' TYR . 58.3 t -53.86 -32.62 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -92.34 -14.16 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.5 m -79.61 -24.95 41.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.1 m -88.63 -39.12 14.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -65.31 -41.49 93.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.83 -42.53 90.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.6 -31.51 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LYS . 3.4 t-80 -63.5 -55.5 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -39.4 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' HIS . 13.2 mmtp -81.95 -41.37 20.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' HIS . 23.9 mtmt -71.63 -44.73 63.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.767 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 42.5 m-70 -134.62 94.81 16.55 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.58 0.705 . . . . 0.0 110.816 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.6 Cg_endo -69.82 -50.77 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.303 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -90.62 31.72 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.767 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . . . -83.38 138.24 33.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.2 m -89.07 52.27 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 p -73.75 138.24 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -97.06 149.78 21.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -69.5 -43.2 73.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -65.35 -52.49 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -56.53 -34.47 67.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -77.32 -19.34 56.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.9 t -76.59 -67.75 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.797 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -47.47 -30.35 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -68.47 -53.04 26.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.472 ' SG ' HG13 ' A' ' 27' ' ' VAL . 57.7 m -49.7 -33.57 16.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -60.83 -71.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.442 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 11.9 pt-20 -63.99 -21.45 66.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.1 ttm-85 -78.79 -27.32 44.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.489 ' CE2' ' HE2' ' A' ' 64' ' ' LYS . 18.2 t-105 -79.04 -39.44 33.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 12.3 ptmm? -68.39 -48.3 65.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 59' ' ' MET . 11.7 t -55.25 -40.99 71.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.429 ' N ' HG23 ' A' ' 58' ' ' THR . 6.5 mtm -44.95 125.23 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.3 m -61.67 155.72 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.61 -46.94 10.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -52.84 -44.84 67.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.26 -41.98 97.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.489 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 68.0 mttt -68.44 -36.01 78.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -38.81 -70.5 0.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HE2' ' CE2' ' A' ' 67' ' ' PHE . 18.3 pttm -46.21 -48.23 17.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.4 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 34.3 m-85 -58.89 -27.77 65.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.66 -45.22 17.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -64.99 -35.11 80.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.9 ptp -75.31 -31.45 60.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.17 -46.22 61.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 20.9 pttt -60.29 -35.99 76.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.476 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -57.1 -30.84 64.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.07 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.0 -42.39 57.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -52.63 -16.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.98 -51.64 4.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.061 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -63.02 -20.98 65.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.508 ' CE2' ' HG3' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -75.73 -34.69 60.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -61.56 -29.99 70.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -46.37 -35.02 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.458 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . 5.1 mm-40 -67.91 -53.29 27.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.8 mmt -44.33 -37.15 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 84' ' ' THR . 6.5 tmtt? -54.34 -48.91 70.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.445 ' N ' ' HD3' ' A' ' 83' ' ' LYS . 81.9 p -69.72 -20.73 63.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -95.15 140.58 29.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.41 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 17.2 mt -124.23 98.42 38.63 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 111.179 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 86' ' ' ILE . 53.7 Cg_endo -69.74 170.05 17.45 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -174.97 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -93.9 128.15 40.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.04 49.48 0.36 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -88.0 134.31 33.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.967 0.413 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.0 p -104.61 110.92 23.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.158 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER 39.1 44.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 96' ' ' PHE . 20.3 mmtt -102.75 -179.55 4.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' LYS . 3.2 mptp? 35.34 31.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 94' ' ' LYS . 42.6 t80 -95.98 166.98 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -80.91 144.32 32.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -147.59 132.75 9.1 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -29.84 23.07 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.688 2.258 . . . . 0.0 112.303 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -70.79 -49.72 43.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.26 154.89 63.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 135.69 31.12 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -62.82 138.38 58.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.954 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -87.3 138.35 32.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 165.13 31.99 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.551 ' HB3' ' CD2' ' A' ' 110' ' ' PHE . 53.7 Cg_endo -69.72 163.99 36.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.9 m -119.98 173.3 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.99 -50.0 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.536 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 10.0 t80 -57.4 -43.66 83.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.551 ' CD2' ' HB3' ' A' ' 106' ' ' PRO . 45.1 t80 -66.92 -38.31 85.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.9 mt -67.71 -35.66 79.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.671 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 1.5 t80 -75.28 -55.72 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.714 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.7 p -60.54 -30.35 69.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 25.7 t -74.95 -38.8 61.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -78.97 -16.72 56.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -98.07 -25.17 15.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.636 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 16.7 ttp180 -52.28 -52.03 66.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.3 Cg_endo -69.76 -7.13 20.27 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -94.88 -51.5 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 25.3 pt -76.87 -35.45 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -54.8 -43.87 73.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -70.02 -39.06 74.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.494 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.84 -35.13 74.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -119.42 92.72 46.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.27 6.74 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -47.27 -45.63 21.46 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 131' ' ' ASP . 38.0 mt -56.94 178.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 129' ' ' ILE . 59.2 m -144.87 155.87 43.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' SER . 40.9 mt -34.16 -44.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.28 -64.58 3.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 132' ' ' VAL . 4.6 m-20 -54.82 -58.85 5.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 131' ' ' ASP . 91.3 t -34.61 -52.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.497 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -64.59 -48.7 73.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -56.26 -21.98 27.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -79.53 -30.44 41.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' ' 113' ' ' CYS . 11.6 mt -76.93 -19.33 57.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -54.67 -35.76 58.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -89.7 -37.06 14.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.63 ' SD ' HD23 ' A' ' 136' ' ' LEU . 92.0 mtp -51.08 -44.6 61.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.671 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 16.4 t-105 -64.26 -49.19 72.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -49.97 -42.04 47.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -72.63 -40.24 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 147' ' ' ASP . 94.9 m -42.61 138.35 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.95 146.44 37.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -49.54 -47.18 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.67 -45.88 58.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.409 ' HB2' ' CG2' ' A' ' 143' ' ' THR . 2.9 m-20 -59.54 -21.42 60.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.559 ' HG2' ' CZ2' ' A' ' 140' ' ' TRP . 77.2 mttt -91.52 7.61 40.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.52 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 1.6 tt0 -54.0 -58.89 11.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.75 -44.51 2.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.719 2.28 . . . . 0.0 112.364 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -57.97 -26.9 62.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -90.88 -62.25 1.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -40.82 -53.06 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -54.82 -56.67 16.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -44.98 -49.32 11.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -41.35 -53.04 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -50.69 -51.08 52.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 82.2 mt -53.54 -50.08 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -38.99 -47.81 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -41.25 -55.74 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -47.2 -43.93 21.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.446 ' O ' HG22 ' A' ' 166' ' ' ILE . 71.9 t80 -68.55 -52.9 26.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -53.36 -27.82 25.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -79.09 -42.22 26.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -68.15 -55.38 12.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 162' ' ' TYR . 7.5 tt -52.87 -38.29 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -41.54 -24.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 166' ' ' ILE . . . -90.96 -47.06 7.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -42.88 -51.65 5.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 170' ' ' ARG . 4.0 ptp180 -77.38 -47.51 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 58.44 43.74 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -88.01 94.05 9.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.558 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -87.19 172.14 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.7 p -88.21 106.75 18.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.44 114.27 1.43 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p -38.72 149.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.1 p -79.49 -19.23 50.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 125.58 -153.23 18.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.558 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -35.48 143.85 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.1 -128.38 1.1 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -94.02 134.31 36.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.354 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.17 -41.6 2.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -42.15 136.3 2.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.64 34.49 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' LYS . 21.9 mtpp -49.54 -47.61 48.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' LYS . 14.1 ttpt -34.51 121.62 0.55 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.556 0.693 . . . . 0.0 110.862 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.491 ' CG ' ' SD ' ' A' ' 82' ' ' MET . 54.4 Cg_endo -69.72 124.55 11.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -90.73 135.57 33.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -173.07 -73.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HE3' ' CE1' ' A' ' 78' ' ' TYR . 8.0 pttp -54.72 164.9 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.298 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.616 ' HE3' ' CD1' ' A' ' 25' ' ' PHE . 19.1 mtm -160.13 164.41 32.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.0 m -81.72 172.6 13.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.4 m -48.65 -58.57 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.553 ' O ' HG23 ' A' ' 27' ' ' VAL . 70.5 t80 -60.67 -56.98 14.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.18 -40.96 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CD1' ' HE3' ' A' ' 20' ' ' MET . 4.9 m-85 -77.08 -57.05 4.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.3 OUTLIER -46.5 -31.17 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 23' ' ' TYR . 62.5 t -66.08 -35.76 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -92.34 -24.79 18.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.1 m -65.93 -48.04 72.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.3 m -67.84 -52.42 37.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.58 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -51.98 -41.03 61.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.37 -55.79 10.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.42 -29.82 17.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 37' ' ' LYS . 70.2 t60 -64.22 -66.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 34' ' ' HIS . 1.7 mptp? -34.73 -34.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' HIS . 3.8 mmmm -75.94 -47.78 23.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 34' ' ' HIS . 21.9 mtmm -63.7 -42.96 97.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -134.57 94.49 17.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.713 . . . . 0.0 110.839 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.285 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.78 -40.42 79.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.57 117.44 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 m -102.93 83.49 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.7 p -73.69 136.1 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -74.66 157.78 34.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -74.52 -45.47 45.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.1 t -61.55 -46.62 89.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -60.37 -39.7 88.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 31' ' ' ARG . 8.6 t80 -67.39 -36.08 80.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.1 t -65.01 -64.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -46.77 -30.89 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -76.57 -53.53 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.0 m -44.27 -30.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.0 t -60.13 -71.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -70.44 -13.96 62.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -86.34 -22.62 26.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 12.8 t-105 -82.46 -46.79 13.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -64.42 -42.89 95.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.507 HG23 ' N ' ' A' ' 59' ' ' MET . 10.2 t -57.16 -46.43 82.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.507 ' N ' HG23 ' A' ' 58' ' ' THR . 11.1 mtm -39.04 135.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 t -66.92 162.87 20.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.75 -44.68 58.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -54.68 -52.05 63.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.08 -48.02 71.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 84.9 mttt -64.96 -38.35 90.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -36.93 -74.6 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -42.73 -44.96 4.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 29.7 m-85 -61.14 -36.89 80.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.45 -49.52 63.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -63.79 -62.52 1.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 18.8 ptp -48.33 -42.51 31.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.456 ' N ' ' HG3' ' A' ' 70' ' ' MET . . . -57.35 -45.07 84.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 75' ' ' LYS . 5.9 mtpm? -67.97 -60.88 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.13 -37.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.93 -40.73 98.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' LYS . 5.9 mtmp? -51.78 -36.01 45.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.59 -59.57 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 3.3 ppt_? -54.67 -24.27 21.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.805 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.497 ' CE1' ' HE3' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -70.65 -35.73 73.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -46.92 -43.8 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 40.3 mtp180 -38.94 -47.29 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.615 ' O ' HG22 ' A' ' 84' ' ' THR . 95.5 mt-10 -52.89 -44.16 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.491 ' SD ' ' CG ' ' A' ' 16' ' ' PRO . 59.8 mmm -49.14 -20.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -50.19 -33.63 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 81' ' ' GLU . 8.9 t -92.0 -25.97 18.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.488 ' CG ' ' HD3' ' A' ' 16' ' ' PRO . 46.2 t80 -83.37 140.36 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.9 mt -127.03 98.48 30.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 167.53 24.12 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.735 2.29 . . . . 0.0 112.374 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 176.19 7.12 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.685 2.257 . . . . 0.0 112.4 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -90.93 91.38 8.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -128.23 -151.53 7.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.68 45.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.931 0.396 . . . . 0.0 110.896 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.4 t -106.43 159.88 15.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -94.36 121.36 35.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -94.32 145.99 24.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -149.5 119.76 7.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -81.06 131.9 35.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -113.07 172.68 6.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -121.79 80.89 41.15 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.653 0.739 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -32.77 18.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -62.76 -46.84 86.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.59 143.22 90.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 174.88 8.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 154.72 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -81.55 135.96 49.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.0 19.98 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 164.61 33.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' ALA . 19.4 m -116.2 170.3 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 151' ' ' TYR . . . -36.99 -56.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.524 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 18.7 t80 -50.22 -66.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -45.29 -44.45 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.6 mt -55.65 -53.36 57.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.562 ' HB2' ' CE2' ' A' ' 151' ' ' TYR . 1.3 t80 -61.92 -59.91 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.699 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.2 p -51.43 -36.42 43.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.0 t -71.59 -25.93 62.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.445 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.1 OUTLIER -86.24 -20.17 28.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.86 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -99.98 -23.12 15.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.638 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 8.3 ttp180 -49.81 -51.91 56.32 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 110.812 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.4 Cg_endo -69.76 -12.94 33.91 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.68 2.253 . . . . 0.0 112.294 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -90.63 -39.75 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 121' ' ' LYS . 13.9 pt -87.41 -47.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.475 ' N ' HG13 ' A' ' 120' ' ' ILE . 0.2 OUTLIER -48.05 -46.5 33.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.841 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -63.62 -38.45 96.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -68.64 -39.87 80.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.706 ' HB2' HD12 ' A' ' 127' ' ' LEU . 72.5 m-70 -110.4 92.92 14.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -2.29 9.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -96.25 -37.51 4.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.706 HD12 ' HB2' ' A' ' 124' ' ' HIS . 20.3 mt -60.23 126.75 28.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 129' ' ' ILE . 5.2 t -103.8 167.28 9.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 128' ' ' SER . 62.2 mt -34.32 -45.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.93 -65.86 2.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.5 ' HB3' HD23 ' A' ' 127' ' ' LEU . 1.3 m-20 -54.13 -57.41 11.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.436 ' CG2' ' HB3' ' A' ' 127' ' ' LEU . 75.6 t -39.29 -41.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.61 -52.85 63.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.71 -30.94 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -67.25 -30.28 70.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.699 HD13 ' HB2' ' A' ' 113' ' ' CYS . 9.0 mt -83.69 -41.64 17.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -48.49 -47.66 28.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -71.53 -47.51 54.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 7.9 mtm -48.01 -45.32 31.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.524 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 2.0 t-105 -65.57 -39.97 92.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -66.72 -25.33 66.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -107.93 36.45 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 12.8 m -119.22 129.48 54.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.28 142.2 58.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.95 -27.6 19.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.36 -48.03 81.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -10.76 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 149' ' ' GLN . 58.1 mttt -100.2 -23.8 14.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.515 ' HG3' ' CD ' ' A' ' 153' ' ' LYS . 4.7 tt0 -32.15 -58.81 0.4 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.71 -44.91 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.591 ' HB3' ' HB1' ' A' ' 108' ' ' ALA . 10.5 m-85 -53.15 -35.7 60.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -87.0 -63.96 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.515 ' CD ' ' HG3' ' A' ' 149' ' ' GLN . 4.8 mtpm? -43.96 -40.22 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -70.72 -49.56 45.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.33 -40.05 47.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -51.29 -44.23 61.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -58.64 -51.22 70.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.5 mt -47.84 -44.39 29.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.98 -38.91 39.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -50.13 -41.82 49.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -64.08 -21.63 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.442 ' O ' HG22 ' A' ' 166' ' ' ILE . 40.3 t80 -85.63 -51.47 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -53.04 -38.0 62.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -40.77 68.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -65.24 -48.66 72.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 162' ' ' TYR . 7.1 tt -67.98 -23.68 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -58.76 -37.43 76.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -84.38 -33.96 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -46.49 -57.84 4.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -66.75 -40.7 88.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -161.66 106.63 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -41.87 131.63 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.936 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -48.68 163.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -85.48 96.73 9.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.59 -78.11 0.55 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -169.8 151.85 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -132.14 107.25 8.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.73 168.96 24.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.9 mmt -63.71 -48.65 76.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.72 81.26 0.91 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -101.79 -60.55 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.47 87.36 0.53 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -127.69 149.11 69.47 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.627 0.727 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -1.37 8.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -86.89 -48.11 8.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -78.07 119.17 76.32 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.575 0.702 . . . . 0.0 110.929 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 109.84 2.41 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -98.89 42.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.99 -56.83 21.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 9.4 mtmp? -43.99 113.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.683 ' CE ' ' CE1' ' A' ' 25' ' ' PHE . 6.2 mtm -118.14 155.42 30.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -84.93 165.62 17.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.9 p -47.88 -40.0 20.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.69 ' O ' HG23 ' A' ' 27' ' ' VAL . 69.7 t80 -69.24 -54.81 12.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.49 -35.75 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.07 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.683 ' CE1' ' CE ' ' A' ' 20' ' ' MET . 5.8 m-85 -85.04 -43.71 13.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.56 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -56.38 -25.24 48.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 23' ' ' TYR . 47.2 t -82.3 -34.28 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 27.9 tt0 -70.31 -33.52 71.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.69 -33.28 53.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 m -77.19 -34.7 56.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 7.5 ptp180 -68.61 -36.03 78.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 4.2 pt-20 -75.44 -49.53 18.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 40.0 mm-40 -44.9 -36.33 3.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -67.59 -60.51 2.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -42.91 -24.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -78.41 -46.97 18.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -65.94 -44.86 83.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 18.1 m-70 -129.45 94.32 33.08 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.832 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 54.1 Cg_endo -69.7 -44.13 2.3 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.79 -36.84 83.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.93 125.75 27.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.0 t -111.12 103.54 11.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.7 p -83.21 142.47 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -78.16 168.98 19.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -81.17 -54.79 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.7 m -57.3 -44.47 84.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -64.63 -35.7 81.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' A' ' 31' ' ' ARG . 18.1 t80 -80.78 -26.51 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.5 t -71.62 -45.5 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -60.49 -27.0 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -77.52 -58.7 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.6 m -50.36 -27.12 5.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.2 m -65.64 -72.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 58' ' ' THR . 22.3 mt-10 -63.67 -15.72 59.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.411 ' HA ' HG22 ' A' ' 58' ' ' THR . 11.3 ttm-85 -87.76 -23.12 24.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.503 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 18.0 t-105 -82.74 -39.82 21.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -71.85 -33.73 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 54' ' ' GLU . 9.9 t -75.76 -7.38 54.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.442 ' HE2' ' CE3' ' A' ' 56' ' ' TRP . 8.0 mtp -79.18 126.64 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.8 m -63.19 156.49 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.19 -27.05 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -66.78 -52.53 43.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -57.84 -31.38 66.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.462 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 59.9 mttt -84.87 -31.47 23.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -41.98 -58.17 3.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.509 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -52.71 -51.8 58.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.325 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 41.0 m-85 -55.09 -41.72 71.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.38 -42.96 78.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -65.46 -49.91 67.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.8 mtm -59.63 -60.07 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -42.72 -46.17 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -58.24 -49.35 77.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.48 -37.98 18.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.35 -31.36 71.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -60.81 -15.97 35.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -98.79 -53.36 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -61.22 -20.23 62.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.532 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 10.7 t80 -71.02 -41.4 70.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -42.69 -36.7 1.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -63.42 -52.88 59.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -51.31 -26.21 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 35.9 tpp -79.4 -29.5 42.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -54.31 -24.09 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 48.5 p -92.99 -19.77 21.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -68.12 129.52 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.6 mt -123.1 101.82 38.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.586 0.708 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 154.96 67.33 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.695 2.264 . . . . 0.0 112.364 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 168.89 20.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -70.75 96.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -140.07 -77.97 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.39 159.93 28.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.976 0.417 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.9 m -123.84 128.09 49.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -159.69 162.33 35.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -99.06 145.84 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -91.6 176.5 6.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -163.24 135.88 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -148.81 134.19 18.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -124.05 86.59 53.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.576 0.703 . . . . 0.0 110.874 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -43.79 2.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.326 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -45.8 -44.57 14.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' A' ' 102' ' ' PRO . . . -41.28 155.89 0.21 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.576 0.703 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 101' ' ' ALA . 53.9 Cg_endo -69.74 164.25 35.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.495 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 11.4 mmmm -93.94 166.53 12.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -90.4 143.11 28.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.548 0.689 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 164.79 33.23 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -178.97 2.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.1 p -125.98 168.08 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.41 -45.02 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.558 ' CZ ' ' SG ' ' A' ' 113' ' ' CYS . 11.6 t80 -59.58 -62.83 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -44.84 -40.12 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.03 -66.14 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.587 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -49.82 -50.09 46.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.632 ' HA ' HD22 ' A' ' 136' ' ' LEU . 58.5 m -56.03 -52.61 63.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.2 t -67.1 -8.01 27.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -102.07 -26.29 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -98.69 -18.83 17.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.647 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 10.3 ttp180 -53.98 -52.11 71.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.607 0.718 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.74 -14.74 36.57 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.733 2.289 . . . . 0.0 112.358 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -87.63 -38.47 15.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.504 HD11 HG13 ' A' ' 132' ' ' VAL . 23.6 pt -85.91 -37.44 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.443 ' CD ' ' HA ' ' A' ' 118' ' ' PRO . 15.9 ptmt -44.5 -32.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -85.09 -27.86 32.67 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -73.97 -50.62 19.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.779 ' HB2' HD12 ' A' ' 127' ' ' LEU . 28.4 m-70 -111.9 89.24 11.13 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.539 0.685 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -39.34 6.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.325 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -49.32 -40.75 30.75 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 124' ' ' HIS . 32.8 mt -58.08 -175.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 129' ' ' ILE . 1.4 t -160.05 160.69 33.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 128' ' ' SER . 75.4 mt -35.61 -36.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.61 -53.4 20.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.478 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.443 ' HB3' HD22 ' A' ' 127' ' ' LEU . 10.3 m-20 -71.15 -56.82 5.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.504 HG13 HD11 ' A' ' 120' ' ' ILE . 18.8 t -37.32 -54.82 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.428 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -45.81 -48.22 15.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -60.95 -27.58 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -72.91 -30.58 64.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.632 HD22 ' HA ' ' A' ' 113' ' ' CYS . 13.3 mt -77.89 -19.74 54.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.28 -62.4 4.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 138' ' ' GLU . 6.4 pm0 -64.99 -39.08 92.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 31.0 mmm -48.82 -30.7 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.587 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 4.9 t-105 -79.74 -41.23 27.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -62.98 -33.63 75.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -80.5 -39.53 27.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 22.9 m -45.13 140.79 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.12 151.11 31.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.83 -38.27 75.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.07 -33.58 70.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.54 -17.38 60.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.4 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 66.7 mttt -95.62 11.22 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.519 ' HG3' ' CD ' ' A' ' 153' ' ' LYS . 5.6 tt0 -55.6 -59.49 11.17 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.2 Cg_endo -69.72 -36.66 10.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.736 2.291 . . . . 0.0 112.375 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.485 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 58.3 m-85 -64.04 -42.82 96.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -79.03 -45.47 20.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.519 ' CD ' ' HG3' ' A' ' 149' ' ' GLN . 5.4 mtpm? -61.05 -51.3 69.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -57.62 -53.44 58.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -47.38 -35.7 8.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -57.41 -34.12 68.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -66.77 -52.63 41.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.1 mt -45.42 -50.26 12.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -41.47 -37.41 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -64.43 -50.4 67.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -54.2 -21.31 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.495 ' CD1' ' O ' ' A' ' 103' ' ' LYS . 56.4 t80 -87.64 -54.92 4.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 167' ' ' ALA . 23.9 mt-10 -52.49 -31.43 35.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 165' ' ' ASP . 0.0 OUTLIER -77.63 -44.15 29.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ASP . . . . . 0.461 ' N ' ' HD3' ' A' ' 164' ' ' LYS . 42.5 m-20 -64.67 -39.35 93.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.499 HG23 ' N ' ' A' ' 167' ' ' ALA . 7.5 tt -77.58 -43.69 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.499 ' N ' HG23 ' A' ' 166' ' ' ILE . . . -50.48 -28.5 8.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -97.13 -23.17 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -55.88 -49.07 74.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 10.0 ptt85 -82.65 -31.59 28.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -122.11 96.1 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 47.42 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.514 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -137.58 155.43 49.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.846 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -97.8 128.81 44.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.74 140.23 34.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p -77.71 81.38 4.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.847 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -74.22 169.5 17.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.87 94.7 0.23 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -154.51 144.04 21.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.6 143.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.76 136.93 38.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.79 -55.08 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -107.95 149.55 39.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -8.76 24.43 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -60.18 -51.35 69.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -71.62 118.74 69.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.571 0.701 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 129.88 18.37 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -97.7 176.3 5.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' LYS . . . 156.51 -52.77 0.42 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' GLY . 9.4 mtmp? -37.1 141.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.447 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 26.1 mtp -132.31 146.07 51.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.1 m -87.87 174.44 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.7 m -43.89 -58.8 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.649 ' CE2' HG21 ' A' ' 27' ' ' VAL . 35.3 t80 -57.86 -63.1 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' TYR . . . -33.82 -38.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.066 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 5.5 m-85 -83.0 -54.22 5.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.544 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -47.04 -43.71 20.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.649 HG21 ' CE2' ' A' ' 23' ' ' TYR . 53.4 t -58.41 -28.2 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.467 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 6.1 tt0 -92.33 -28.48 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.3 m -68.69 -38.9 80.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 77.1 m -76.49 -51.74 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' NE ' ' HA ' ' A' ' 28' ' ' GLN . 4.7 ptp180 -47.77 -41.04 22.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.39 -38.09 89.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -56.43 -39.4 73.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -68.35 -57.93 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -44.29 -29.04 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -78.67 -45.81 20.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -64.97 -43.73 91.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 15.8 m-70 -134.55 94.4 17.24 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.547 0.689 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.2 Cg_endo -69.77 -35.73 12.08 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.74 2.293 . . . . 0.0 112.344 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -71.04 -37.19 72.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.34 119.08 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -90.59 99.36 12.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.406 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 11.8 p -101.45 135.95 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -83.72 169.46 15.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -90.96 -45.43 8.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -67.65 -23.1 65.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.567 ' CD ' ' N ' ' A' ' 48' ' ' PHE . 1.7 pp20? -83.37 -45.45 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.567 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 23.0 t80 -63.3 -20.32 65.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.0 t -65.76 -47.74 74.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -57.55 -20.73 33.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -86.56 -50.01 7.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.545 ' SG ' HG13 ' A' ' 27' ' ' VAL . 54.2 m -55.63 -35.17 65.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -71.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.483 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 14.4 pt-20 -59.05 -19.62 45.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -81.46 -23.95 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.497 ' CE2' ' HE2' ' A' ' 64' ' ' LYS . 70.4 t-105 -86.55 -30.85 21.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 6.2 ptmm? -76.6 -29.76 56.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.0 t -76.24 -35.32 59.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.6 mtm -61.9 146.34 50.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -103.81 179.08 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.55 -25.84 11.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.168 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -60.99 -42.17 97.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -87.85 -53.11 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.497 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 68.9 mttt -52.13 -36.51 51.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.96 -73.62 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -46.92 -37.62 9.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.328 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 25.3 m-85 -68.01 -30.44 69.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -72.32 -50.5 26.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -62.35 -51.7 66.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 ptp -54.87 -37.02 65.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.82 -34.53 78.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -73.88 -30.43 62.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.52 91.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -25.39 54.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -28.86 28.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -88.59 -60.12 2.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -49.36 -25.65 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -77.32 -44.81 28.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -48.85 -34.38 12.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.403 ' NH1' ' HB3' ' A' ' 103' ' ' LYS . 26.0 mmt85 -42.39 -54.59 3.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -57.78 -54.41 47.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.473 ' O ' ' N ' ' A' ' 85' ' ' TYR . 55.5 tpp -49.8 -32.98 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -41.54 -43.36 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.7 p -70.42 -30.96 67.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.473 ' N ' ' O ' ' A' ' 82' ' ' MET . 6.8 t80 -66.24 143.15 57.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 21.8 mt -131.77 114.08 15.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 111.17 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 168.36 21.74 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.729 2.286 . . . . 0.0 112.332 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -174.6 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.688 2.258 . . . . 0.0 112.393 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -41.11 -28.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.21 124.68 31.46 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -112.45 149.72 32.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 33.0 m -151.68 142.7 23.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -89.13 121.91 31.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -143.73 144.19 31.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -46.97 174.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -134.32 151.92 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 12.7 tppt? -127.61 153.51 46.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 4.5 m-20 -80.89 115.6 56.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.591 0.71 . . . . 0.0 110.837 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -34.99 13.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.331 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 101' ' ' ALA . 1.6 m-20 -43.97 -62.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 100' ' ' ASN . . . -36.01 141.82 0.32 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.615 0.722 . . . . 0.0 111.076 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 164.16 35.56 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.65 2.233 . . . . 0.0 112.368 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.441 ' C ' ' HE3' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -132.39 174.9 9.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.48 ' HD3' ' N ' ' A' ' 104' ' ' ARG . 1.4 mpp_? -73.94 142.65 79.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 169.89 17.88 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 153.92 68.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.774 2.316 . . . . 0.0 112.329 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.1 p -94.9 159.21 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.69 -32.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.457 ' HB2' ' NE1' ' A' ' 140' ' ' TRP . 16.1 t80 -67.21 -49.17 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -59.47 -22.12 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 88.8 mt -82.15 -48.57 11.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.606 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -68.82 -48.65 63.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.421 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.7 p -61.78 -29.34 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.8 t -82.61 -12.99 57.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -97.11 -35.92 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.442 ' CD2' ' HD3' ' A' ' 119' ' ' LYS . 3.0 m-85 -83.73 -25.44 30.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.648 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 3.2 ttm180 -40.0 -52.11 5.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.589 0.709 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.9 Cg_endo -69.74 -36.12 11.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.442 ' HD3' ' CD2' ' A' ' 116' ' ' TYR . 8.1 ptmt -72.05 -23.64 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.61 HD13 HD21 ' A' ' 136' ' ' LEU . 36.4 pt -95.89 -37.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 120' ' ' ILE . 1.1 tmmt? -53.02 -43.92 66.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -71.91 -47.67 30.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.447 ' OE1' ' CA ' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -55.04 -42.74 73.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.731 ' HB2' HD12 ' A' ' 127' ' ' LEU . 86.2 m-70 -116.34 93.14 38.75 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.578 0.704 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.3 Cg_endo -69.79 -21.54 33.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.316 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.42 -43.02 21.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.731 HD12 ' HB2' ' A' ' 124' ' ' HIS . 92.1 mt -51.34 126.05 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 129' ' ' ILE . 98.1 p -98.22 163.3 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' SER . 30.6 mt -35.16 -36.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -74.4 -57.69 4.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 0.6 OUTLIER -63.07 -53.68 49.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 131' ' ' ASP . 92.9 t -34.22 -52.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.4 -47.17 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 131' ' ' ASP . 11.7 tptm -53.71 -24.04 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.27 -39.98 64.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.61 HD21 HD13 ' A' ' 120' ' ' ILE . 4.5 mt -78.41 -24.56 46.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.79 -53.27 42.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.44 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.65 -47.8 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 90.7 mtp -49.4 -50.73 39.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.606 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 24.3 t-105 -59.02 -29.8 67.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -82.78 -25.52 32.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -106.62 29.15 7.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.413 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 3.8 m -114.99 133.28 56.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.4 155.23 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.99 -26.85 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.45 -40.19 90.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.413 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 5.1 t70 -69.87 -18.09 63.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -93.61 5.93 49.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.509 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.9 tt0 -51.83 -59.33 8.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.585 0.707 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.9 Cg_endo -69.74 -36.8 10.19 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 30.5 m-85 -66.17 -32.98 74.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.65 -53.82 4.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -47.43 -53.05 15.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -55.21 -53.52 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -45.67 -55.36 6.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -41.21 -56.56 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -47.94 -58.65 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 19.7 mt -46.43 -50.3 16.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -41.6 -54.43 3.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -49.29 -59.28 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -46.04 -44.91 15.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -58.95 -58.73 7.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -51.77 -33.9 37.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -73.21 -45.38 56.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -61.61 -45.77 92.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 6.7 tt -71.98 -23.7 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 171' ' ' ALA . . . -61.41 -30.9 70.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -88.87 -19.62 25.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -69.05 -44.56 72.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -97.05 -44.63 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 167' ' ' ALA . . . -102.5 84.83 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.049 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -47.87 121.68 4.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m 51.19 42.37 28.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 m -124.98 157.37 36.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.58 56.97 3.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -154.23 154.24 33.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.829 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -163.69 168.44 19.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.55 -135.95 4.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.5 mmt -93.03 95.4 9.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 48.55 -172.75 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -124.63 146.05 49.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.3 -94.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.559 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -149.88 110.1 3.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' LYS . 53.5 Cg_endo -69.77 -9.22 25.58 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.298 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' LYS . 40.6 mtmt -37.37 -64.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' LYS . 11.0 ttmm -34.95 130.87 0.47 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.862 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.8 123.0 9.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.307 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 17' ' ' ARG . 8.7 mtp-105 -80.73 148.05 30.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' LYS . . . 178.84 -63.75 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.587 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 7.9 mtmp? -35.48 135.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.547 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 29.8 mtp -123.11 168.61 12.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.5 m -100.27 -174.76 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 p -59.05 -44.16 91.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.418 ' O ' HG23 ' A' ' 27' ' ' VAL . 79.9 t80 -68.39 -62.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -40.04 -39.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.059 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.547 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 5.1 m-85 -81.69 -52.46 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -47.67 -28.36 2.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 23' ' ' TYR . 98.2 t -75.92 -32.95 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -92.32 -13.77 29.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.5 m -82.56 -38.2 24.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.4 m -76.45 -28.49 56.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -73.67 -40.65 63.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 4.3 pt-20 -66.97 -49.4 65.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 16.4 mm-40 -52.22 -35.34 49.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -68.5 -60.39 2.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.99 -23.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -80.95 -45.34 16.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.8 -45.54 82.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -134.61 94.84 16.54 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.553 0.692 . . . . 0.0 110.838 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -43.94 2.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -61.19 -32.06 71.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.66 122.27 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.5 p -104.07 94.42 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 44' ' ' ASN . 2.0 p -83.09 155.54 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.439 ' N ' ' CG2' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -96.69 154.83 17.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -80.7 -57.22 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -44.8 -41.65 7.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -75.3 -47.98 25.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -65.33 -14.2 60.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 t -86.95 -66.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HG3' ' CE ' ' A' ' 51' ' ' LYS . 9.7 ptmt -43.84 -36.9 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.476 ' CE ' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.38 -54.76 17.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.41 ' HB3' HG22 ' A' ' 27' ' ' VAL . 9.3 m -41.56 -29.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.8 t -67.35 -71.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -63.97 -15.07 58.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -89.58 -23.72 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.578 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 21.3 t-105 -83.46 -40.19 19.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -67.97 -38.33 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 t -68.47 -24.73 64.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.573 ' SD ' ' CE1' ' A' ' 26' ' ' PHE . 15.3 mtp -61.39 120.53 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.97 157.73 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.53 -41.84 31.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 10.5 ptpp? -54.47 -40.74 68.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 30.3 mm-40 -67.71 -37.88 82.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.52 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 82.9 mttt -78.62 -24.81 45.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.23 -59.68 8.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -51.85 -50.26 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 36.9 m-85 -54.32 -38.19 65.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.96 -32.24 72.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.88 -56.36 4.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.497 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 4.7 mtm -53.87 -50.05 67.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.08 -51.34 62.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -53.3 -31.73 45.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 70' ' ' MET . . . -58.45 -34.48 70.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER -53.41 -17.53 2.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -58.45 -22.34 54.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.15 -54.31 3.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -59.83 -15.25 19.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.587 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -77.52 -43.76 30.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -46.52 -32.02 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -42.46 -46.17 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -65.83 -45.12 83.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' LYS . 62.3 mmm -47.99 -36.08 12.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -37.61 -53.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 70.8 p -70.65 -36.75 73.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.194 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.565 ' CD2' ' HD3' ' A' ' 16' ' ' PRO . 38.9 t80 -74.63 148.06 41.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 18.0 mt -133.47 98.44 15.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 86' ' ' ILE . 53.6 Cg_endo -69.77 167.42 24.51 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.358 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -171.29 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.703 2.268 . . . . 0.0 112.352 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -45.76 102.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -91.77 149.48 19.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -89.25 81.54 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.993 0.425 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.7 t -153.98 152.58 30.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.1 mmtt -133.43 39.08 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.4 pttm -151.93 127.6 10.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 95' ' ' LYS . 38.4 pttt -141.91 121.35 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -173.01 123.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -151.9 147.84 27.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -123.0 66.72 30.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.58 0.705 . . . . 0.0 110.868 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -41.92 3.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.24 . . . . 0.0 112.34 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -56.99 -36.88 70.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.34 126.46 68.74 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.565 0.697 . . . . 0.0 111.129 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 133.38 25.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.511 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -71.37 168.82 16.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.445 ' HG2' ' CZ ' ' A' ' 162' ' ' TYR . 50.6 mtt180 -110.21 121.33 41.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.845 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 167.02 25.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.313 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -179.13 2.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 108' ' ' ALA . 77.5 p -135.77 153.82 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -35.67 -43.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.464 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 2.0 t80 -66.94 -47.62 71.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.421 ' O ' ' CB ' ' A' ' 114' ' ' SER . 11.1 t80 -61.5 -43.11 99.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.66 -50.18 70.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.653 ' CG ' ' CE3' ' A' ' 140' ' ' TRP . 0.6 OUTLIER -62.16 -48.26 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.7 p -68.26 -32.58 72.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 42.2 t -75.62 -14.77 60.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -101.64 -26.02 13.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -91.83 -10.62 39.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.643 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 9.9 ttm180 -62.53 -51.79 70.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.634 0.73 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.83 -7.85 22.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.302 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -93.21 -36.69 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.2 pt -92.3 -40.39 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -51.84 -32.39 31.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -79.89 -38.46 19.57 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.15 -47.89 72.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -107.1 90.45 5.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -17.59 37.43 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -70.89 -47.36 39.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 131' ' ' ASP . 36.7 mt -50.69 -178.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.7 t -152.92 172.97 15.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.0 mt -50.13 -36.53 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -69.12 -51.18 29.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.499 ' HB3' HD22 ' A' ' 127' ' ' LEU . 9.6 m-20 -71.38 -60.43 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' ASP . 52.6 t -34.25 -49.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.742 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -50.78 -48.06 59.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 131' ' ' ASP . 0.6 OUTLIER -60.5 -32.77 71.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -69.27 -25.52 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 133' ' ' ALA . 10.4 mt -79.36 -21.48 45.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.66 -62.8 5.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 138' ' ' GLU . 13.3 pm0 -66.27 -34.76 78.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 64.9 mmm -55.18 -48.75 73.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.653 ' CE3' ' CG ' ' A' ' 112' ' ' PHE . 31.0 t-105 -66.62 -33.3 75.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -75.72 -27.74 58.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -86.61 -36.83 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 53.7 m -37.8 149.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.94 134.7 38.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.111 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -45.51 -36.65 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -61.58 -37.15 82.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.28 -15.06 62.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 149' ' ' GLN . 44.7 mttp -94.72 -22.35 18.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.521 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.5 tt0 -33.94 -58.58 0.58 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.61 0.719 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.0 Cg_endo -69.79 -44.75 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 15.3 m-85 -55.57 -23.39 26.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -93.84 -57.85 2.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -48.64 -43.52 36.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -66.5 -66.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -40.03 -44.64 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -48.87 -59.93 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -41.61 -53.53 3.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 29.7 mt -62.64 -39.11 92.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -60.04 -41.98 93.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -55.34 -49.78 71.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -54.15 -39.48 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.511 ' CD1' ' O ' ' A' ' 103' ' ' LYS . 40.4 t80 -63.76 -59.53 4.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 167' ' ' ALA . 11.1 mt-10 -55.08 -32.22 61.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -69.69 -50.79 40.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.67 -48.05 78.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 3.9 tt -64.18 -34.65 70.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.669 ' O ' ' HB3' ' A' ' 171' ' ' ALA . . . -46.89 -34.25 5.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.052 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -88.4 -19.32 26.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.076 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -80.5 -48.62 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.498 ' HD2' ' HB2' ' A' ' 171' ' ' ALA . 0.0 OUTLIER -95.57 -23.34 17.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.818 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.669 ' HB3' ' O ' ' A' ' 167' ' ' ALA . . . -125.24 69.68 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 171' ' ' ALA . 0.0 OUTLIER -34.64 -37.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -134.45 42.44 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -144.81 164.17 31.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.36 -57.62 0.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 6' ' ' SER . 21.4 m -109.63 140.63 43.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 0.0 110.871 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.3 m -35.43 -59.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.93 90.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 mmm -61.55 -32.31 72.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.357 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.04 16.81 6.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -137.3 160.79 38.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.2 158.67 7.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -81.75 149.95 64.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.28 25.72 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -51.74 -64.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -55.74 115.96 10.88 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.572 0.701 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 137.02 34.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ptp85 -119.02 41.02 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' LYS . . . -55.25 -58.57 13.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.529 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 8.4 mtmp? -35.72 126.63 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.424 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 21.0 mtp -107.13 169.75 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -105.32 161.85 13.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -40.7 -55.76 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.758 ' CE2' HG21 ' A' ' 27' ' ' VAL . 50.6 t80 -56.52 -60.32 3.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' TYR . . . -35.49 -40.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.495 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 9.1 m-85 -82.48 -57.52 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.547 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -42.84 -31.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.758 HG21 ' CE2' ' A' ' 23' ' ' TYR . 46.6 t -81.79 -31.34 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' PHE . 3.6 pt20 -79.62 -28.45 40.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -76.22 -58.22 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 54.8 m -54.64 -45.92 73.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.539 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 19.6 ptt180 -56.68 -42.87 79.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 22.8 mt-10 -65.11 -45.33 85.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -56.42 -36.62 69.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.559 ' CD2' HG11 ' A' ' 43' ' ' VAL . 8.6 t60 -61.39 -67.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -39.29 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 34' ' ' HIS . 24.5 mmtt -82.16 -41.62 20.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 34' ' ' HIS . 23.2 mmtp -68.45 -43.32 77.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 44.1 m-70 -130.0 95.02 29.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.82 -42.53 3.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -62.01 -40.02 94.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.65 115.01 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 t -89.94 42.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.559 HG11 ' CD2' ' A' ' 34' ' ' HIS . 7.2 p -51.17 136.84 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -81.3 154.09 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' A' ' 46' ' ' SER . 28.8 p90 -79.88 -53.04 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.556 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 3.2 m -52.5 -53.0 51.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.06 -47.63 83.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 31' ' ' ARG . 89.6 t80 -39.96 -31.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' LYS . 23.2 t -61.29 -45.1 95.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -39.06 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' SER . 80.1 mttt -87.5 -54.83 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.409 ' HB3' HG22 ' A' ' 27' ' ' VAL . 3.8 m -47.22 -32.56 4.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.2 p -61.2 -70.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -67.15 -17.63 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -84.34 -26.66 28.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.516 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 35.0 t-105 -78.3 -38.57 42.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -68.98 -39.74 79.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 t -65.73 -40.7 92.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.6 mtm -49.04 124.8 9.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -62.88 164.5 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.29 -45.41 34.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.084 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -54.11 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -47.38 -37.68 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.516 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 69.2 mttt -72.96 -36.19 67.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -43.81 -56.87 4.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -55.03 -36.14 65.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.547 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 56.0 m-85 -80.32 -21.11 42.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -85.81 -32.68 21.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.51 -33.27 36.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.0 ptp -76.86 -32.22 57.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 25' ' ' PHE . . . -71.08 -41.15 71.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 2.7 ptmm? -63.63 -33.0 74.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.49 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -53.08 -20.61 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.43 ' OD1' ' NE ' ' A' ' 77' ' ' ARG . 4.2 t0 -65.71 -9.41 27.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -63.57 -30.76 71.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.465 ' N ' ' HD2' ' A' ' 75' ' ' LYS . . . -81.97 -54.26 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.43 ' NE ' ' OD1' ' A' ' 74' ' ' ASP . 2.7 ppt_? -60.37 -29.11 68.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.529 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 10.6 t80 -59.15 -42.96 91.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 80' ' ' ARG . 33.4 mt-10 -37.89 -37.81 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 79' ' ' GLU . 21.9 mmt180 -34.98 -62.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 83' ' ' LYS . 62.9 mt-10 -70.49 -53.14 17.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.1 tpt -38.41 -27.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 81' ' ' GLU . 17.8 tttt -69.39 -49.07 58.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 81' ' ' GLU . 67.5 p -63.84 -28.26 69.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -79.68 136.83 36.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.8 mt -126.87 100.64 27.46 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.578 0.704 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.16 19.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 89' ' ' LYS . 54.0 Cg_endo -69.76 -179.81 3.17 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.367 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' PRO . 9.4 mmtp -36.71 99.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -143.22 -152.78 5.73 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -121.16 170.11 9.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.959 0.409 . . . . 0.0 110.847 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.65 115.26 1.64 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -68.35 -178.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 147.75 43.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -139.08 145.12 39.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -148.41 121.75 9.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -174.05 159.87 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.6 87.7 5.62 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -8.56 23.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.627 2.218 . . . . 0.0 112.386 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -116.6 48.99 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -164.25 151.11 9.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.563 0.697 . . . . 0.0 111.146 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.872 ' HD2' HD12 ' A' ' 166' ' ' ILE . 53.3 Cg_endo -69.76 166.65 26.87 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.668 2.246 . . . . 0.0 112.296 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 148.91 38.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -81.15 153.57 72.0 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.723 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 165.12 32.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.734 2.289 . . . . 0.0 112.305 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 178.69 4.31 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 t -120.48 168.01 11.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 151' ' ' TYR . . . -49.91 -30.87 11.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.463 ' HB2' ' NE1' ' A' ' 140' ' ' TRP . 5.4 t80 -63.9 -53.76 45.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -54.29 -48.51 71.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.5 mt -54.86 -66.0 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.532 ' HA ' ' CE1' ' A' ' 151' ' ' TYR . 1.1 t80 -44.99 -55.01 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.807 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.8 p -60.76 -29.58 69.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.9 t -82.0 -12.9 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -101.62 -22.25 14.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -95.82 -19.52 19.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.638 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 11.1 ttp180 -52.57 -51.89 68.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.4 Cg_endo -69.71 -3.68 12.46 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.368 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -102.15 -35.54 8.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.915 HD11 HG13 ' A' ' 132' ' ' VAL . 44.4 pt -92.54 -34.87 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.445 ' N ' HG13 ' A' ' 120' ' ' ILE . 1.1 tmmt? -62.63 -49.93 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -65.19 -37.92 94.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -70.99 -45.66 63.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.633 ' CB ' HD12 ' A' ' 127' ' ' LEU . 44.3 m-70 -105.15 96.13 10.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -29.34 23.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.236 . . . . 0.0 112.346 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.25 -34.98 90.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.633 HD12 ' CB ' ' A' ' 124' ' ' HIS . 13.7 mt -78.12 158.92 28.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 129' ' ' ILE . 39.6 m -149.64 171.77 16.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' SER . 88.2 mt -35.71 -37.49 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.92 -57.78 10.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 132' ' ' VAL . 34.4 m-20 -71.13 -59.64 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.804 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.915 HG13 HD11 ' A' ' 120' ' ' ILE . 54.3 t -33.76 -50.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -42.24 -64.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -52.39 -30.48 29.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.632 ' HE2' HD13 ' A' ' 127' ' ' LEU . 5.9 ttpp -67.56 -35.34 78.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.807 HD13 ' HB2' ' A' ' 113' ' ' CYS . 16.6 mt -81.28 -23.51 37.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.25 -44.35 95.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 139' ' ' MET . 7.1 pt-20 -74.75 -41.62 59.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.445 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 28.6 mtp -50.53 -61.24 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.463 ' NE1' ' HB2' ' A' ' 109' ' ' PHE . 6.4 t-105 -50.07 -34.88 23.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -76.91 -24.08 52.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -110.73 26.9 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 24.3 m -106.41 135.61 47.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -68.73 135.49 51.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -46.44 -40.91 13.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -55.02 -36.13 65.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.59 -13.2 61.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -99.24 1.48 44.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.511 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.9 tt0 -50.95 -58.68 9.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.9 Cg_endo -69.76 -17.96 37.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.626 2.217 . . . . 0.0 112.349 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.532 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 38.2 m-85 -89.41 -22.0 22.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -93.43 -52.29 4.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -55.23 -47.61 75.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -57.12 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -41.69 -48.07 4.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -44.76 -40.47 6.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -65.19 -50.31 66.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 17.7 mt -47.51 -45.04 26.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.964 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -42.03 -39.59 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 164' ' ' LYS . 6.4 mm-40 -51.2 -41.45 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -60.59 -45.85 92.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.677 ' O ' HG22 ' A' ' 166' ' ' ILE . 32.6 t80 -66.36 -53.0 41.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.75 -31.04 70.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 160' ' ' GLU . 31.6 mmtt -85.89 -29.09 23.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -77.15 -39.44 49.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.872 HD12 ' HD2' ' A' ' 102' ' ' PRO . 4.6 tt -68.11 -37.25 77.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -49.9 -46.8 52.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -89.34 -17.08 29.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.579 ' CD2' ' HD3' ' A' ' 102' ' ' PRO . 80.4 t80 -57.7 -63.47 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -72.18 -42.12 66.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -116.12 81.18 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -88.25 -46.57 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.532 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -108.0 138.86 43.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.8 m -134.52 119.58 18.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.54 138.64 11.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -95.68 -53.84 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.376 . . . . 0.0 110.853 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.7 t -44.65 113.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.02 141.56 12.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -116.28 41.8 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.91 72.59 0.57 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 11' ' ' GLY . 4.3 tppp? -78.41 155.61 29.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 10' ' ' LYS . . . 39.93 -145.55 0.33 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -93.17 142.9 25.92 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.612 0.72 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -8.01 22.51 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.248 . . . . 0.0 112.294 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -43.02 -49.37 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -55.36 116.75 12.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.554 0.692 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.6 Cg_endo -69.78 9.37 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.637 2.225 . . . . 0.0 112.333 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 16' ' ' PRO . 23.2 ptt180 -32.75 134.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -174.79 -38.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HE3' ' CE1' ' A' ' 78' ' ' TYR . 7.0 pttp -49.34 154.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.597 ' HE3' ' CD1' ' A' ' 25' ' ' PHE . 10.0 mtm -120.12 163.63 17.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.7 p -101.26 178.86 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.8 p -48.88 -54.04 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -62.67 -62.08 1.98 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.555 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -39.23 -39.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CD1' ' HE3' ' A' ' 20' ' ' MET . 8.8 m-85 -78.99 -56.43 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.551 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -45.47 -29.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.36 -35.58 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -89.01 -23.26 22.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.7 m -74.26 -40.96 62.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.551 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 90.7 m -71.75 -53.68 12.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 10.0 ptm180 -44.24 -40.87 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 11.4 mt-10 -65.78 -49.52 68.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -50.99 -36.44 39.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.559 ' HE1' ' HB3' ' A' ' 41' ' ' ALA . 3.2 t-80 -60.9 -67.59 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.459 ' N ' ' HE3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -36.96 -29.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 34' ' ' HIS . 2.0 mmmm -78.99 -44.74 21.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 34' ' ' HIS . 18.3 mmtp -68.7 -45.09 72.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.853 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 49.0 m-70 -133.32 93.54 21.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.75 -49.42 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.272 . . . . 0.0 112.329 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -85.6 21.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.853 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . . . -87.79 120.45 29.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.3 p -71.79 85.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -105.03 142.26 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -95.53 -176.92 3.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -103.44 -48.66 3.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -64.19 -36.61 84.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.566 ' CD ' ' N ' ' A' ' 48' ' ' PHE . 2.1 pp20? -65.62 -45.67 82.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 16.2 t80 -62.05 -33.77 75.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 51' ' ' LYS . 1.6 m -78.46 -61.61 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -42.91 -23.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.3 ttmt -92.72 -41.81 9.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -47.81 -25.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.7 p -68.58 -67.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -69.25 -15.79 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' C ' HG22 ' A' ' 58' ' ' THR . 20.7 ttt85 -87.23 -23.69 24.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.532 ' CZ2' ' HD3' ' A' ' 64' ' ' LYS . 16.0 t-105 -83.59 -41.73 17.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -68.16 -33.4 74.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.416 HG22 ' C ' ' A' ' 55' ' ' ARG . 9.8 t -68.86 -29.15 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.4 mtm -59.4 123.21 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.9 m -59.38 152.46 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.96 -38.36 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -58.15 -42.0 84.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -66.63 -47.05 73.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.532 ' HD3' ' CZ2' ' A' ' 56' ' ' TRP . 77.3 mttt -63.31 -26.94 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' GLU . . . -41.34 -72.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -43.74 -43.97 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 49.3 m-85 -65.85 -30.4 71.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' GLY . 7.7 mm-40 -74.41 -40.03 62.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.13 -56.89 4.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 8.4 ptp -49.24 -43.8 43.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 70' ' ' MET . . . -61.46 -44.39 97.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -51.89 -36.62 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.45 -43.91 84.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -67.75 -38.69 83.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -58.29 -30.23 66.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.46 -53.06 6.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -57.85 -20.57 37.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.46 ' CE1' ' HE3' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -81.8 -39.06 24.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.828 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -51.86 -38.99 58.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -44.88 -41.63 7.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -40.47 90.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 85' ' ' TYR . 48.6 tpp -52.23 -39.34 60.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -38.24 -46.85 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 66.6 p -69.04 -36.82 78.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 82' ' ' MET . 67.1 t80 -51.67 146.56 7.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.6 mt -138.0 105.04 8.06 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 163.66 37.45 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.648 2.232 . . . . 0.0 112.373 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 176.55 6.65 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 99.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.25 -145.91 4.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -114.81 113.85 24.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.97 0.414 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.9 m -141.41 152.02 43.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -100.27 124.9 46.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -98.67 137.82 36.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -109.99 166.83 10.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -129.2 149.37 51.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -119.24 156.37 30.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -88.6 122.96 68.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -20.45 34.59 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.246 . . . . 0.0 112.337 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -65.93 -50.88 62.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.95 142.26 35.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 125.62 12.38 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.345 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.91 139.37 44.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -61.55 132.12 92.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 165.08 32.2 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 157.08 61.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 108' ' ' ALA . 15.2 m -111.4 164.85 12.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.525 ' HB1' ' HZ2' ' A' ' 140' ' ' TRP . . . -33.73 -70.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.547 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 11.0 t80 -40.68 -42.79 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.34 -61.85 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.2 mt -42.31 -45.78 4.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.524 ' HA ' ' CE1' ' A' ' 151' ' ' TYR . 0.9 OUTLIER -65.79 -52.36 51.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.543 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.4 p -57.23 -30.47 64.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.3 t -74.68 -10.53 59.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.54 -41.05 7.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.552 ' CD2' ' HD3' ' A' ' 119' ' ' LYS . 4.2 m-85 -83.12 -44.33 15.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.543 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 8.3 ttp180 -28.24 -57.86 0.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.8 Cg_endo -69.75 -38.05 8.36 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.552 ' HD3' ' CD2' ' A' ' 116' ' ' TYR . 0.0 OUTLIER -61.89 -26.15 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.2 pt -96.13 -31.34 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.66 -50.91 67.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -61.91 -36.21 92.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -69.31 -39.97 77.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -121.63 94.15 48.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.536 0.684 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -34.44 14.65 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.17 -51.4 54.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.526 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.637 HD22 ' HB3' ' A' ' 131' ' ' ASP . 85.7 mt -50.27 152.99 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.9 m -125.29 166.78 15.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 36.6 mt -38.48 -35.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -69.02 -51.5 28.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.637 ' HB3' HD22 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -70.7 -61.96 1.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 131' ' ' ASP . 97.2 t -35.65 -37.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.426 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -66.76 -49.3 66.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 131' ' ' ASP . 19.2 ttmt -61.06 -29.02 69.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -67.67 -25.27 65.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 113' ' ' CYS . 7.1 mt -86.82 -13.54 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.19 -47.54 79.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -70.13 -39.16 75.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 30.0 mtt -47.16 -64.96 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.565 ' CH2' ' HG2' ' A' ' 148' ' ' LYS . 4.2 t-105 -48.6 -35.19 13.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.08 -25.03 55.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -109.26 33.8 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 m -117.29 127.22 53.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.43 138.79 39.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -50.84 -34.52 28.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.15 -25.65 68.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.44 11.48 14.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.565 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 64.1 mttt -120.26 -22.97 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.649 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 11.8 tt0 -43.99 -51.4 18.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.71 -16.47 37.78 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.524 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 15.6 m-85 -90.39 -28.75 18.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -87.96 -58.49 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -44.63 -50.3 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -59.57 -52.57 64.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -43.66 -34.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.97 -54.95 34.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.451 ' O ' ' CD ' ' A' ' 161' ' ' LYS . 23.3 mmmt -50.13 -24.19 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 13.2 mt -87.89 -33.09 18.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -71.22 -43.61 66.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 161' ' ' LYS . 11.0 pt-20 -55.08 -48.74 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -56.5 -40.31 74.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.494 ' O ' HG22 ' A' ' 166' ' ' ILE . 8.9 t80 -62.35 -51.42 67.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -54.11 -41.14 67.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -68.9 -47.31 66.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.38 -54.76 43.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.494 HG22 ' O ' ' A' ' 162' ' ' TYR . 6.6 tt -57.76 -40.79 77.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.436 ' N ' HG23 ' A' ' 166' ' ' ILE . . . -44.1 -40.72 5.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -80.96 -44.32 18.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -38.82 -54.91 1.57 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 25.4 ptt85 -65.72 -41.97 91.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -169.16 110.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -49.03 134.97 16.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -70.97 137.71 49.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.842 0.354 . . . . 0.0 110.884 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m -49.08 144.9 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.809 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.94 100.78 2.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 m -66.38 84.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.934 0.397 . . . . 0.0 110.844 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -156.35 172.03 19.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.82 -111.56 0.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 mtt 55.25 52.54 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.97 130.84 6.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -125.68 176.63 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 137.56 -92.88 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -114.67 141.9 27.44 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.653 0.74 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -9.16 25.43 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -80.9 -42.46 21.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -53.94 115.19 7.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 146.77 60.97 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 -130.29 39.57 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.65 -65.19 3.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.559 ' HG2' ' CE2' ' A' ' 78' ' ' TYR . 15.2 pttt -48.83 124.9 9.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.309 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 12.6 mtp -115.92 168.98 9.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 t -90.27 166.37 13.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 m -40.81 -63.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.525 ' CD1' ' CG ' ' A' ' 56' ' ' TRP . 50.3 t80 -56.47 -58.61 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.444 ' O ' ' HE2' ' A' ' 20' ' ' MET . . . -41.91 -39.08 1.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 3.6 m-85 -77.97 -54.47 6.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.402 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -47.65 -19.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 23' ' ' TYR . 78.4 t -79.14 -34.9 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -92.44 -18.46 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.3 m -76.62 -37.56 56.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 85.5 m -72.44 -48.96 36.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 5.9 ptm180 -49.47 -43.96 45.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 4.9 mm-40 -66.56 -59.07 3.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -50.31 -32.6 17.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LYS . 29.2 t60 -61.23 -63.68 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -38.85 -27.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' HIS . 4.9 mmpt? -80.74 -42.98 20.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' HIS . 18.7 mmtp -67.79 -45.29 75.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . 52.9 m-70 -133.61 94.62 18.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.527 0.68 . . . . 0.0 110.838 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.242 . . . . 0.0 112.372 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -85.35 32.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . . . -82.4 175.23 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.0 p -132.74 77.51 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -110.97 142.59 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 45' ' ' PHE . 10.0 m-20 -107.15 123.77 48.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 44' ' ' ASN . 68.9 m-85 -36.76 -54.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -55.38 -52.72 62.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' SER . 5.9 mm-40 -55.37 -54.25 45.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 10.4 t80 -35.85 -32.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' GLU . 40.2 t -58.05 -54.08 51.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -49.63 -31.57 11.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -56.22 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.8 p -58.0 -34.22 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -67.46 -45.85 74.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 8.3 pt-20 -81.84 -19.2 41.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' HA ' HG22 ' A' ' 58' ' ' THR . 47.0 mtp180 -84.9 -33.54 22.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.525 ' CG ' ' CD1' ' A' ' 23' ' ' TYR . 67.3 t-105 -71.19 -31.88 68.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.448 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 17.5 ptmt -75.57 -44.33 43.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.446 HG22 ' HA ' ' A' ' 55' ' ' ARG . 6.9 t -68.82 -42.72 76.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.179 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.42 ' N ' HG23 ' A' ' 58' ' ' THR . 3.2 mtm -47.9 112.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 p -64.59 175.1 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.56 -36.63 74.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -58.76 -29.04 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -85.48 -41.62 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 74.8 mttt -71.79 -18.61 62.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.26 -72.96 0.4 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -46.83 -43.78 18.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -61.73 -35.24 77.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.65 -45.91 70.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -67.57 -62.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.2 ptp -47.41 -38.82 14.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.36 -37.18 80.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -64.3 -52.85 56.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.98 -20.25 50.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.91 -43.22 98.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -38.22 -32.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.38 -67.51 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.423 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 2.9 ppt_? -48.4 -24.8 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.559 ' CE2' ' HG2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -67.14 -42.03 85.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -47.53 -21.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.484 ' HD3' ' N ' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -46.18 -42.98 14.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.484 ' N ' ' HD3' ' A' ' 80' ' ' ARG . 9.8 pt-20 -79.65 -39.02 32.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.8 mtp -44.57 -22.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -48.03 -49.85 29.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 79.5 p -65.97 -35.37 80.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.42 ' C ' HG13 ' A' ' 86' ' ' ILE . 83.9 t80 -68.37 157.56 35.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 85' ' ' TYR . 21.4 mt -142.45 105.01 5.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 169.82 17.99 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.389 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 169.31 19.32 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -66.31 -30.67 71.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 38.89 -116.38 0.56 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -128.48 45.15 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.399 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.7 m -155.32 132.66 11.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.13 147.84 23.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -154.59 138.02 15.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.517 ' HG2' ' CD1' ' A' ' 96' ' ' PHE . 28.7 ttmt -71.42 165.93 22.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.517 ' CD1' ' HG2' ' A' ' 95' ' ' LYS . 51.3 p90 -51.66 -175.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.22 164.1 28.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -41.49 102.03 0.26 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.657 0.742 . . . . 0.0 110.839 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -11.87 31.69 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -72.14 -51.2 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -50.51 142.86 14.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.562 0.696 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 166.94 25.84 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.344 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.37 164.28 14.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -84.93 130.63 51.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.576 0.703 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 164.86 32.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 156.0 64.31 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.3 p -107.08 161.85 14.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.52 -41.46 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.484 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 10.5 t80 -60.83 -43.07 98.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.829 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 114' ' ' SER . 49.2 t80 -66.39 -47.32 73.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 72.6 mt -58.6 -38.77 78.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 113' ' ' CYS . 1.1 t80 -71.17 -60.37 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.53 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.2 p -58.56 -30.79 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 18.0 m -67.54 -21.94 65.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -97.92 -20.04 17.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.416 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.1 m-85 -92.57 -31.96 15.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.569 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 2.1 ttt180 -48.62 -56.06 16.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.77 -14.18 35.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.603 2.202 . . . . 0.0 112.364 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -89.23 -33.25 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 121' ' ' LYS . 12.1 pt -93.26 -44.99 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.437 ' N ' HG13 ' A' ' 120' ' ' ILE . 29.5 ttpt -47.19 -37.33 10.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -75.67 -37.47 39.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.473 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -68.85 -40.52 79.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 77.3 m-70 -114.44 92.61 28.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.567 0.699 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.3 Cg_endo -69.81 -12.99 33.93 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.08 -42.8 9.19 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 131' ' ' ASP . 46.5 mt -54.56 123.93 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.5 p -90.55 169.46 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 43.9 mt -45.48 -37.59 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.51 -58.06 7.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.471 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 132' ' ' VAL . 10.8 m-20 -58.41 -58.02 10.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 131' ' ' ASP . 69.5 t -35.27 -47.85 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.503 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -57.74 -48.92 78.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 131' ' ' ASP . 46.1 mmtt -51.82 -36.75 49.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -64.83 -29.34 70.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 133' ' ' ALA . 6.8 mt -86.77 -28.1 23.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.02 -43.53 97.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 139' ' ' MET . 12.9 pt-20 -75.56 -45.0 40.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.456 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 2.8 mmm -43.95 -67.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.503 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 3.2 t-105 -45.13 -36.38 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -74.68 -29.48 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 139' ' ' MET . 24.7 p30 -104.77 30.41 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.445 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 18.3 m -114.26 137.06 52.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.47 131.7 44.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -41.61 -39.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -51.85 -44.47 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.445 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 9.2 t70 -62.52 -21.05 65.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.501 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 72.3 mttt -94.74 12.33 28.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.527 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.1 tt0 -58.73 -58.73 17.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.7 Cg_endo -69.74 -32.41 18.71 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 18.1 m-85 -69.41 -46.12 67.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.56 -58.44 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 29.4 mtmt -46.71 -54.05 10.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -55.28 -69.29 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -39.42 -45.01 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -47.76 -50.54 25.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -51.96 -49.7 62.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 60.3 mt -53.37 -53.3 53.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -38.01 -50.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -47.12 -55.29 8.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -47.81 -44.43 28.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.508 ' O ' HG22 ' A' ' 166' ' ' ILE . 7.8 t80 -62.68 -61.04 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.87 -39.8 12.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -70.86 -51.45 26.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -54.25 -50.48 67.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 162' ' ' TYR . 6.1 tt -66.22 -36.52 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -45.21 -39.81 6.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.89 -42.45 60.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -51.91 -57.77 8.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 171' ' ' ALA . 14.7 ptm180 -54.85 -40.97 70.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.452 ' N ' ' HG3' ' A' ' 170' ' ' ARG . . . -171.16 108.84 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -52.86 107.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.906 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -74.83 172.45 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -105.42 127.21 52.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.61 -95.37 0.94 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t 41.89 44.27 2.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -126.35 122.69 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.48 143.89 16.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -138.35 139.38 39.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.339 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.44 131.61 2.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -126.03 -45.88 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.366 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.56 -40.2 1.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.445 ' CB ' ' HE3' ' A' ' 14' ' ' LYS . 3.0 m-20 -41.68 150.09 0.37 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.586 0.708 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -4.47 14.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HE3' ' CB ' ' A' ' 12' ' ' ASP . 35.7 mttt -45.79 -67.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' LYS . 22.4 ttpt -34.5 128.08 0.48 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.704 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.505 ' O ' ' CE ' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.83 95.87 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -87.47 25.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.63 -175.47 47.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.583 ' HD3' ' CD2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -106.11 -174.18 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.5 mtp -96.15 173.37 7.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' SER . 5.8 t -114.59 156.12 25.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' SER . 10.1 p -36.29 -44.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.85 -60.54 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.33 -33.53 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -82.98 -39.89 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.402 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -66.06 -26.4 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.6 t -81.88 -31.33 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.63 -11.51 36.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.2 m -91.22 -52.21 4.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 m -63.02 -21.89 66.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.408 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 35.2 ptt85 -80.21 -43.28 21.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 6.3 pt-20 -70.14 -49.69 48.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.531 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 18.7 mt-10 -50.94 -35.11 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LYS . 38.3 t60 -63.36 -60.45 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -37.33 -29.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.8 OUTLIER -78.44 -43.94 25.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' HIS . 14.2 mmmt -69.21 -43.49 73.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . 34.0 m-70 -131.92 94.97 23.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 110.803 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -49.6 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.256 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -92.5 38.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.518 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . . . -80.36 172.96 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.8 t -125.22 50.61 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 p -84.61 145.15 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -105.19 145.41 30.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -67.16 -64.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.4 t -44.32 -36.7 2.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -73.69 -38.6 64.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -68.36 -23.73 64.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.87 -49.89 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -21.71 66.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HE3' ' CZ ' ' A' ' 55' ' ' ARG . 15.2 ptmt -87.38 -39.62 15.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.2 m -55.21 -28.23 51.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -64.64 -56.51 13.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.11 -25.8 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.445 ' HA ' HG22 ' A' ' 58' ' ' THR . 30.0 mtt85 -79.4 -22.25 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.498 ' CD2' ' HE2' ' A' ' 64' ' ' LYS . 46.7 t-105 -82.11 -35.65 28.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -76.7 -33.48 58.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 55' ' ' ARG . 13.6 t -72.55 -40.31 66.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 58' ' ' THR . 4.9 mtm -51.81 113.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 t -62.06 174.05 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.52 -46.38 73.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -48.08 -40.36 22.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -70.63 -52.76 19.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 86.5 mttt -63.97 -14.15 51.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -47.66 -61.66 4.56 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -55.83 -57.63 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 69.1 m-85 -48.57 -35.9 14.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -67.65 -38.86 84.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -69.97 -29.93 67.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 mtm -82.18 -45.05 15.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.59 84.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -65.08 -36.48 84.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.467 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -74.98 -29.5 60.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -68.99 -1.99 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' CD ' ' HD2' ' A' ' 19' ' ' LYS . 36.7 tptt -75.52 -18.58 59.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -109.39 -20.16 13.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.33 -14.22 41.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -73.36 -30.11 63.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.962 -179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.5 ' HG2' ' CZ ' ' A' ' 78' ' ' TYR . 33.0 mt-10 -72.19 -61.46 1.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -51.71 -44.8 63.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -47.18 -45.31 22.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 16' ' ' PRO . 40.3 ttm -39.1 -41.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -50.21 -48.85 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.0 t -107.45 36.12 2.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -67.4 106.12 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.418 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 63.7 mt -115.92 98.12 50.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 0.0 111.097 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.558 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.78 150.8 68.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.358 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -171.9 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -70.43 -28.85 65.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.47 166.86 3.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -123.01 -174.85 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.7 m -126.47 32.26 5.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.38 136.7 57.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -163.41 146.84 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.19 -179.92 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -151.1 122.7 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 18.2 tptm -147.04 145.48 29.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 19.4 m-20 -118.22 73.29 10.05 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.657 0.741 . . . . 0.0 110.898 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -30.84 21.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.272 . . . . 0.0 112.367 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 101' ' ' ALA . 10.7 m120 -61.53 -40.02 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 100' ' ' ASN . . . -34.03 127.36 0.46 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.099 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.45 ' HG3' ' CA ' ' A' ' 166' ' ' ILE . 53.8 Cg_endo -69.78 -173.06 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.585 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 1.2 pmtp? -118.64 162.19 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -93.58 111.38 52.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 168.84 20.28 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.368 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 179.38 3.75 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.8 p -133.56 169.86 16.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.08 -45.6 22.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.581 ' CE1' ' SG ' ' A' ' 113' ' ' CYS . 19.2 t80 -50.21 -52.4 36.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.38 -47.11 76.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 151' ' ' TYR . 92.9 mt -55.25 -64.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.74 -48.84 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.654 ' HA ' HD22 ' A' ' 136' ' ' LEU . 71.9 m -53.94 -61.69 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.7 t -57.62 -13.64 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -91.8 -28.46 17.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -99.29 -14.95 19.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.635 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 6.3 ttt180 -55.85 -52.16 74.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.6 Cg_endo -69.79 -5.64 16.71 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -93.74 -55.67 3.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.728 HD11 HG13 ' A' ' 132' ' ' VAL . 38.6 pt -77.17 -35.44 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 117' ' ' ARG . 31.4 ttmt -61.09 -55.85 27.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -62.57 -41.53 99.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -66.25 -39.95 89.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.923 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 81.8 m-70 -116.43 92.83 38.08 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.7 Cg_endo -69.74 -14.26 35.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.346 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -79.93 -37.66 21.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.556 HD22 ' HB3' ' A' ' 131' ' ' ASP . 38.9 mt -62.41 122.19 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.2 m -98.38 164.33 12.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.1 mt -38.28 -41.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -57.83 -50.33 66.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.556 ' HB3' HD22 ' A' ' 127' ' ' LEU . 5.5 m-20 -71.81 -64.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.728 HG13 HD11 ' A' ' 120' ' ' ILE . 59.4 t -34.82 -51.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.81 -44.52 63.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 131' ' ' ASP . 33.3 ttpt -64.16 -30.64 71.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -72.86 -21.3 60.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.654 HD22 ' HA ' ' A' ' 113' ' ' CYS . 28.4 mt -88.87 -32.23 17.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.62 -46.27 85.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.423 ' C ' ' OE1' ' A' ' 138' ' ' GLU . 0.9 OUTLIER -72.61 -39.63 67.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 24.9 mmm -54.57 -45.2 73.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.466 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 3.0 t-105 -64.79 -45.44 86.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -58.03 -31.46 67.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -103.6 42.05 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 30.9 m -121.36 137.0 54.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -82.26 143.82 31.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -45.57 -38.57 6.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -53.36 -49.56 66.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -63.11 -13.24 34.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.431 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 70.6 mttt -101.82 9.06 41.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.528 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.4 tt0 -55.92 -58.61 15.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.59 0.71 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.81 -38.73 7.3 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.632 2.221 . . . . 0.0 112.342 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.424 ' O ' HD12 ' A' ' 111' ' ' LEU . 28.8 m-85 -64.59 -39.31 93.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -77.4 -60.67 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 149' ' ' GLN . 31.6 mmtt -42.23 -47.93 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -61.75 -55.02 34.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.2 -29.68 61.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.14 96.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -57.6 -47.94 80.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.57 -40.93 89.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -60.61 -50.58 72.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 164' ' ' LYS . 28.7 mm-40 -40.48 -44.39 2.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -41.78 96.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.959 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.602 ' O ' HG22 ' A' ' 166' ' ' ILE . 13.1 t80 -68.39 -56.77 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -55.02 -35.06 64.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 160' ' ' GLU . 0.0 OUTLIER -74.16 -45.36 49.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.87 -42.88 99.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 162' ' ' TYR . 6.9 tt -69.75 -30.57 45.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -56.8 -26.91 58.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -94.61 -33.5 12.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -48.31 -57.1 6.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 9.1 ptm180 -92.31 -45.06 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 170' ' ' ARG . . . 68.08 44.83 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -52.24 -54.42 31.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 179.926 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.6 p -174.54 110.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.383 . . . . 0.0 110.899 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -53.88 168.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.87 179.94 17.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -166.17 136.33 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.87 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -137.82 129.31 28.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.46 -87.25 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.8 ttm -45.57 -45.59 13.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.94 77.16 2.07 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -129.45 109.68 11.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.37 -74.41 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.98 144.5 41.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 0.84 5.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -40.87 -52.83 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -58.2 112.26 4.64 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.547 0.689 . . . . 0.0 110.905 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 178.3 4.72 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.24 . . . . 0.0 112.353 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -140.61 147.68 39.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 19' ' ' LYS . . . 168.95 -46.05 0.22 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.536 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 5.4 mtmp? -37.38 130.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.723 0.296 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.539 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 21.0 mtp -126.21 145.12 50.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -87.94 174.69 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.9 m -48.83 -49.19 40.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.462 ' O ' HG23 ' A' ' 27' ' ' VAL . 57.1 t80 -65.09 -57.18 9.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.14 -38.69 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 6.6 m-85 -80.86 -53.19 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -47.99 -23.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 23' ' ' TYR . 66.9 t -75.93 -33.69 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.425 ' HG3' ' NE ' ' A' ' 31' ' ' ARG . 18.6 tt0 -92.18 -16.82 25.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.2 m -75.24 -24.4 57.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.6 m -92.85 -40.96 10.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.479 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 14.9 ptt180 -59.77 -46.65 88.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 15.1 mm-40 -60.5 -43.02 97.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -60.74 -29.15 69.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -71.23 -56.07 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HE2' ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -46.75 -20.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -84.02 -38.06 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -78.3 -47.24 18.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.593 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . 24.4 m-70 -133.94 94.89 17.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -47.51 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.712 2.275 . . . . 0.0 112.364 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -92.98 33.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.593 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . . . -77.9 169.63 17.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.1 p -107.29 56.65 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.459 HG11 ' NZ ' ' A' ' 35' ' ' LYS . 11.8 p -93.92 134.41 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -103.03 136.83 42.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.408 ' CD2' ' N ' ' A' ' 46' ' ' SER . 10.4 p90 -50.64 -56.67 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.408 ' N ' ' CD2' ' A' ' 45' ' ' PHE . 32.8 t -55.96 -55.64 30.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -51.97 -33.63 38.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -78.49 -25.72 45.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 t -72.99 -55.87 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -60.38 -21.36 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -79.63 -33.59 41.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 m -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.9 t -66.7 -59.7 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.477 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 7.8 pt-20 -67.98 -20.88 65.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' O ' HG22 ' A' ' 58' ' ' THR . 75.3 mtt-85 -80.6 -35.99 33.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.584 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 28.4 t-105 -72.95 -36.74 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 12.7 ptmm? -72.25 -37.0 69.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 55' ' ' ARG . 4.6 t -76.09 -2.61 31.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.2 mtm -85.54 116.99 24.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.7 p -58.06 158.25 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.56 -38.9 21.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.8 mtmm -57.84 -38.87 76.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -72.32 -30.25 64.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.499 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 77.6 mttt -82.47 -28.23 31.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -43.28 -64.95 1.6 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -50.69 -50.96 53.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.488 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 15.8 m-85 -53.38 -39.39 64.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -62.4 -36.22 81.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -73.79 -61.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.417 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 6.1 mtm -48.52 -51.07 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.12 -44.61 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.48 ' O ' ' CG ' ' A' ' 75' ' ' LYS . 33.9 mtmt -57.21 -28.92 63.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 70' ' ' MET . . . -62.58 -31.72 72.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 75' ' ' LYS . 1.1 p-10 -55.56 -23.23 25.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -59.29 -22.13 60.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.08 -60.92 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 2.2 ppt_? -49.01 -31.41 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.536 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 15.2 t80 -67.97 -43.87 77.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -43.58 -32.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 18.8 ttm105 -54.3 -41.29 68.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.487 ' O ' HG22 ' A' ' 84' ' ' THR . 43.8 mt-10 -62.25 -18.89 62.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.9 ttm -71.53 -8.85 56.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -33.71 76.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 81' ' ' GLU . 14.9 t -86.85 -26.12 24.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.163 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.554 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 13.2 t80 -40.67 153.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.554 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 24.2 mt -141.97 111.63 6.18 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 0.0 111.087 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 164.71 33.56 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.47 6.72 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.75 2.3 . . . . 0.0 112.356 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -66.91 116.79 8.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -164.23 -160.44 11.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.02 91.21 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.951 0.405 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 93' ' ' LYS . 94.6 m -163.13 159.96 23.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.175 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.529 ' N ' HG22 ' A' ' 92' ' ' THR . 33.9 mtpt -94.44 92.87 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.1 163.91 38.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -86.74 170.98 11.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -66.05 -179.7 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -107.05 171.87 7.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.469 ' N ' ' HD2' ' A' ' 97' ' ' LYS . 5.2 t70 -100.5 108.22 52.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.552 0.691 . . . . 0.0 110.85 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -23.94 30.15 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -62.46 -46.13 89.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -39.47 138.88 0.91 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.566 0.698 . . . . 0.0 111.082 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.82 4.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.645 2.23 . . . . 0.0 112.33 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.0 151.88 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -95.33 142.9 25.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.63 0.729 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.76 33.35 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.393 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 151.39 69.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -100.73 169.66 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.27 -46.86 46.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.485 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 6.1 t80 -65.31 -33.6 76.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 114' ' ' SER . 8.4 t80 -75.44 -32.59 60.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.3 mt -69.16 -48.79 61.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.531 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 1.5 t80 -64.8 -58.51 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.669 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.7 p -54.92 -31.3 60.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 14.2 t -74.55 -35.76 63.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -78.91 -21.89 46.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -96.43 -17.27 20.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.634 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 11.5 ttp180 -56.36 -52.33 73.96 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.582 0.706 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.5 Cg_endo -69.74 -1.61 8.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.364 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -103.78 -36.73 7.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 21.1 pt -91.41 -37.98 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -56.54 -37.3 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.46 -30.11 41.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.536 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.69 -45.9 49.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.648 ' CB ' HD12 ' A' ' 127' ' ' LEU . 15.6 m-70 -109.85 88.82 7.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.553 0.692 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.5 Cg_endo -69.76 -6.32 18.32 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -91.26 -40.15 5.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.648 HD12 ' CB ' ' A' ' 124' ' ' HIS . 22.2 mt -57.48 127.41 31.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 129' ' ' ILE . 82.8 p -100.66 162.43 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 128' ' ' SER . 18.3 mt -36.5 -37.63 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.32 -52.86 43.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 134' ' ' LYS . 2.3 m-20 -71.11 -58.33 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 131' ' ' ASP . 54.5 t -34.28 -44.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.05 89.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 131' ' ' ASP . 31.5 tptt -62.9 -23.0 67.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -76.41 -30.41 57.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.669 HD13 ' HB2' ' A' ' 113' ' ' CYS . 10.0 mt -88.77 -39.22 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -52.65 -39.81 54.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -81.43 -36.31 29.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.1 -42.29 98.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.531 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 13.0 t-105 -68.46 -35.11 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -72.19 -27.53 62.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -89.17 -36.42 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 20.6 m -42.72 148.95 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -81.6 152.54 27.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.52 83.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -57.38 -36.2 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.78 -19.44 62.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.474 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 27.2 mttp -92.75 -18.39 22.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.515 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.7 tt0 -34.78 -59.09 0.63 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.523 0.677 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.8 Cg_endo -69.77 -45.16 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.655 2.237 . . . . 0.0 112.379 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 15.0 m-85 -53.63 -31.65 48.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.01 -53.79 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -50.24 -36.9 33.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -75.61 -50.9 14.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.86 -18.41 8.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -75.74 -60.9 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 158' ' ' LEU . 12.7 pttt -49.71 -38.58 33.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.482 ' N ' ' HG3' ' A' ' 157' ' ' LYS . 12.6 mt -59.54 -40.51 87.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -48.38 -39.42 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -51.95 -53.08 45.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -50.29 -24.92 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -88.82 -48.88 7.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.06 -39.75 66.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.406 ' C ' ' HD3' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -68.71 -39.25 80.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -67.9 -46.57 71.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 15.3 tt -70.06 -25.93 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -55.66 -29.54 59.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -93.48 -35.73 12.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -43.84 -48.91 8.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 171' ' ' ALA . 16.0 ptt85 -84.93 -40.97 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 170' ' ' ARG . . . 36.34 44.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -73.6 103.22 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -161.68 130.29 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t -67.59 -43.8 79.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.38 94.34 2.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.455 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -88.34 -54.26 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -76.02 145.92 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.823 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.67 48.48 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.441 ' SD ' ' N ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER -172.31 155.12 3.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 110.839 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.441 ' N ' ' SD ' ' A' ' 8' ' ' MET . . . -70.26 168.32 48.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.476 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -163.77 139.61 6.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.59 70.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -132.35 151.81 78.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.621 0.724 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 0.54 5.52 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.12 -46.62 45.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -67.29 121.68 79.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.547 0.689 . . . . 0.0 110.943 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' ARG . 54.4 Cg_endo -69.68 7.38 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' PRO . 29.7 ptt180 34.5 41.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.98 -51.95 55.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.529 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 23.1 mtmt -45.83 135.11 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.614 ' HE3' ' CG ' ' A' ' 25' ' ' PHE . 8.8 mtm -132.63 172.66 12.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -108.71 -176.65 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -57.04 -48.95 77.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 27' ' ' VAL . 84.7 t80 -64.65 -60.24 3.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.464 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -41.24 -40.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CG ' ' HE3' ' A' ' 20' ' ' MET . 9.7 m-85 -78.32 -55.0 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -47.48 -31.76 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 23' ' ' TYR . 87.2 t -73.11 -32.21 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -92.29 -15.43 27.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.0 m -86.71 -46.64 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.5 p -67.82 -33.87 75.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -59.69 -46.14 89.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 50.0 mm-40 -71.99 -48.27 46.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -49.84 -31.73 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -68.73 -60.43 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.22 -25.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -82.41 -40.54 21.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -69.45 -43.78 72.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -134.8 94.67 16.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.7 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.638 2.225 . . . . 0.0 112.372 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.85 -37.96 60.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.22 124.59 23.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.8 m -104.14 95.63 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.501 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 12.0 p -90.2 128.7 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -67.44 160.08 28.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -84.08 -47.97 10.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -57.64 -46.92 83.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.564 ' CD ' ' N ' ' A' ' 48' ' ' PHE . 2.1 pp20? -62.61 -45.7 91.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.564 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 11.9 t80 -53.89 -26.11 23.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.2 t -71.7 -50.81 26.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -61.15 -19.56 61.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -87.29 -57.42 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.0 p -46.97 -25.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.6 t -67.62 -71.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.22 -17.67 64.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -84.01 -22.18 31.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.582 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 24.1 t-105 -88.72 -36.7 16.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -70.0 -27.22 64.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.2 t -88.41 7.41 32.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.9 mtp -94.57 112.66 24.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.5 m -53.22 155.97 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.09 -38.22 11.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -56.47 -48.81 76.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.73 -51.16 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.57 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 92.4 mttt -61.37 -34.04 74.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -34.99 -66.95 0.3 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.546 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 7.9 ptpp? -48.03 -31.69 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.338 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.61 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 81.4 m-85 -83.83 -23.13 31.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -81.61 -20.81 38.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -93.62 -36.32 12.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.61 ' HE3' ' HA ' ' A' ' 67' ' ' PHE . 8.8 ptp -75.2 -23.09 57.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.37 -45.22 23.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 7.5 ptmt -60.39 -35.4 75.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -57.79 -31.58 66.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -55.91 -37.87 69.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -39.03 -36.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.9 -58.39 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -12.98 3.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.529 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 3.2 t80 -76.0 -37.87 58.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -53.4 -50.81 64.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -49.7 -38.01 31.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.19 -35.37 80.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 38.1 mmm -63.96 -23.48 67.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -53.81 -58.67 6.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.0 p -56.07 -22.21 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.606 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.2 OUTLIER -83.13 96.8 8.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.633 HG23 ' HE2' ' A' ' 94' ' ' LYS . 64.1 mt -114.24 99.76 51.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.562 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.0 Cg_endo -69.72 167.53 24.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 89' ' ' LYS . 54.3 Cg_endo -69.73 -174.22 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.38 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' PRO . 13.0 mmtt -34.35 99.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -178.12 -55.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -54.8 165.49 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 81.0 p -41.98 164.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -48.87 113.01 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.633 ' HE2' HG23 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -146.19 142.45 28.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 94' ' ' LYS . 35.8 mttt -36.77 101.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.406 ' CD1' ' HE2' ' A' ' 89' ' ' LYS . 46.6 p90 -108.84 126.06 52.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -126.53 90.44 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -132.78 77.4 68.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.72 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -10.62 29.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.316 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -97.4 -32.54 11.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.16 140.43 96.1 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.7 . . . . 0.0 111.119 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -165.31 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.63 2.22 . . . . 0.0 112.359 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.53 140.3 53.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -86.04 121.84 72.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.79 18.07 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 170.04 17.55 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.633 2.222 . . . . 0.0 112.311 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.1 m -126.99 171.52 11.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.39 -64.41 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.501 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 10.7 t80 -45.39 -51.59 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -57.57 -43.02 84.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.85 -56.26 18.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.657 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.3 OUTLIER -57.34 -47.61 81.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.423 ' HA ' HD22 ' A' ' 136' ' ' LEU . 1.4 p -65.67 -32.9 74.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.2 m -71.67 -18.32 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -99.37 -15.88 18.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.623 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 3.1 m-85 -97.07 -40.83 8.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.577 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 0.4 OUTLIER -44.04 -55.26 9.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 110.884 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.2 Cg_endo -69.76 -16.37 37.54 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.353 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -88.28 -30.1 19.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 121' ' ' LYS . 12.4 pt -94.26 -47.15 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.469 ' N ' HG13 ' A' ' 120' ' ' ILE . 0.8 OUTLIER -44.0 -41.13 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.71 -36.53 75.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.472 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -71.86 -40.8 68.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -112.19 90.47 13.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.599 0.714 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -9.64 26.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -85.39 -39.1 8.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 131' ' ' ASP . 92.4 mt -62.15 132.83 54.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 129' ' ' ILE . 23.1 t -106.5 163.29 12.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 128' ' ' SER . 51.1 mt -34.5 -38.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.09 -56.38 16.33 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.554 ' HB3' HD22 ' A' ' 127' ' ' LEU . 7.2 m-20 -65.57 -61.19 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.359 . . . . 0.0 110.817 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 131' ' ' ASP . 89.6 t -34.52 -39.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.502 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -61.05 -48.97 79.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 131' ' ' ASP . 4.4 ttpm? -53.43 -36.89 62.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 139' ' ' MET . 9.2 tptt -64.85 -31.94 73.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 133' ' ' ALA . 8.7 mt -81.62 -35.11 30.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.86 -44.43 97.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.485 ' O ' ' ND2' ' A' ' 142' ' ' ASN . 13.2 pt-20 -78.28 -46.81 19.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 14.3 mmm -44.64 -58.17 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.657 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 7.2 t-105 -52.29 -51.29 59.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -51.92 -34.47 41.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 138' ' ' GLU . 19.8 m-80 -102.04 41.35 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 48.5 m -109.4 142.37 40.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -74.66 136.97 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -51.97 -41.75 62.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -58.74 -34.0 70.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -73.14 -18.19 61.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.578 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 30.5 mttm -91.31 -24.2 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.539 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.8 tt0 -33.6 -58.09 0.56 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.4 Cg_endo -69.77 -25.93 28.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.246 . . . . 0.0 112.329 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.502 ' N ' ' O ' ' A' ' 148' ' ' LYS . 13.7 m-85 -79.76 -21.17 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -94.07 -54.25 3.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -53.52 -41.4 66.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -56.47 15.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.86 -41.26 57.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -51.15 -44.34 61.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -58.09 -46.39 85.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.14 -31.09 69.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -65.56 -48.85 71.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -45.41 -57.65 3.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.94 -34.64 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -75.07 -54.66 6.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -53.42 -33.68 54.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -70.46 -40.81 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.58 -52.1 35.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 7.9 tt -62.1 -34.13 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.57 ' O ' ' HB3' ' A' ' 171' ' ' ALA . . . -50.32 -23.52 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -96.27 -32.02 12.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -54.55 -48.91 71.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -83.52 -41.81 17.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 167' ' ' ALA . . . -88.21 46.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 171' ' ' ALA . 8.3 ptmm? -34.47 127.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -98.45 148.25 23.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -155.06 109.36 2.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.71 -147.48 12.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 p -142.6 164.43 30.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -44.87 -69.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.46 145.64 6.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.6 ptm -115.23 139.8 49.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.91 89.47 0.35 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -60.15 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.33 85.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.452 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -119.09 151.87 51.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -6.29 18.22 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 15' ' ' LYS . 24.9 mtpt -75.18 -43.7 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' LYS . 35.7 tttp -34.11 115.65 0.48 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.893 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 89.23 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.315 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 -91.71 36.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.34 151.58 16.83 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.552 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -94.41 174.1 7.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 25.4 mtp -94.94 162.76 13.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -96.17 -175.17 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -54.69 -53.34 56.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.799 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.453 ' O ' HG23 ' A' ' 27' ' ' VAL . 67.0 t80 -60.86 -62.89 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.58 -36.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 8.0 m-85 -83.15 -40.77 19.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -59.57 -33.07 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.488 HG13 ' SG ' ' A' ' 52' ' ' CYS . 45.4 t -68.38 -27.75 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.066 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.445 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 4.6 tt0 -91.54 -17.36 25.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.5 m -82.5 -32.72 28.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.1 m -84.12 -33.05 24.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' NE ' ' HA ' ' A' ' 28' ' ' GLN . 6.7 ptp180 -70.43 -37.97 74.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -73.9 -44.33 55.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.33 -34.01 70.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -58.42 -66.59 0.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -43.07 -30.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -74.0 -48.69 28.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.0 mmtt -62.77 -41.69 99.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -133.96 94.63 18.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.553 0.692 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -36.0 11.67 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.344 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.61 -34.26 69.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.77 118.82 16.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -102.91 96.16 6.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.3 p -85.75 142.07 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -80.05 152.61 29.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -70.96 -57.64 4.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -50.77 -53.62 30.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -57.09 -40.01 76.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.496 ' CE2' ' SG ' ' A' ' 52' ' ' CYS . 49.8 t80 -67.44 -35.06 78.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' A' ' 50' ' ' LYS . 3.0 p -53.56 -58.57 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' N ' ' OG ' ' A' ' 49' ' ' SER . 3.5 ptmm? -58.48 -19.49 37.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -81.78 -26.88 34.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.496 ' SG ' ' CE2' ' A' ' 48' ' ' PHE . 94.3 m -79.79 -26.86 40.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -70.71 -49.2 49.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -76.41 -14.65 60.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.5 mtt-85 -90.42 -28.93 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.521 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 47.4 t-105 -77.58 -38.57 48.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -70.23 -39.71 74.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.5 t -66.68 -40.4 88.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.3 mtm -51.28 110.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.0 m -47.6 175.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.33 -27.92 69.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -70.46 -56.56 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -50.27 -29.71 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.521 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 97.0 mttt -80.2 -28.84 38.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.8 -55.13 3.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -54.26 -36.65 63.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -78.25 -28.05 47.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.2 -30.43 64.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -84.55 -42.78 15.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.1 ptp -63.23 -27.28 69.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.98 -45.78 73.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -54.39 -53.41 54.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.93 82.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.445 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 89.9 m-20 -54.28 -14.9 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -61.66 -19.26 62.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.95 -37.64 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.445 ' CG ' ' HA ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER -63.58 -29.04 70.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.552 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 1.1 p90 -50.75 -32.94 21.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -44.4 -37.57 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -48.15 -39.13 19.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -50.11 -49.05 53.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 35.1 tpp -52.73 -34.56 53.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -55.74 30.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 85' ' ' TYR . 4.1 t -82.66 11.06 6.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.548 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 1.3 t80 -32.24 135.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 mt -123.09 114.35 29.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.638 0.733 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 169.86 17.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.339 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 178.18 4.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.402 ' O ' ' CD ' ' A' ' 89' ' ' LYS . 7.3 tmtm? 60.94 52.08 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.18 -110.84 0.53 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -126.57 6.73 6.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.93 0.395 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.425 ' HB ' ' NZ ' ' A' ' 14' ' ' LYS . 2.5 m -120.02 114.14 21.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 170.15 3.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.16 168.38 12.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.891 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -121.0 150.75 40.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -95.4 116.49 28.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' A' ' 98' ' ' ASP . 1.3 tmtt? -118.08 156.27 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.451 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 0.9 OUTLIER -108.01 84.98 2.33 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.574 0.702 . . . . 0.0 110.882 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.58 18.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.272 . . . . 0.0 112.359 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -43.43 -31.27 0.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.28 132.08 95.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 111.105 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -175.29 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.398 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.99 158.14 42.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -75.14 130.85 79.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 164.26 35.22 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.97 17.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.26 . . . . 0.0 112.357 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 108' ' ' ALA . 5.2 p -118.49 154.13 33.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -34.56 -43.82 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.597 ' CE1' ' SG ' ' A' ' 113' ' ' CYS . 23.8 t80 -58.03 -61.21 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -47.35 -43.24 22.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 114' ' ' SER . 68.0 mt -60.61 -66.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.6 ' CE2' ' CZ ' ' A' ' 116' ' ' TYR . 0.4 OUTLIER -41.38 -45.0 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.855 ' HB3' HD13 ' A' ' 136' ' ' LEU . 13.4 m -67.67 -34.34 76.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 111' ' ' LEU . 11.1 t -65.1 -14.82 61.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -101.36 -31.24 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.6 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 5.2 m-85 -81.58 -35.8 29.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.582 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 7.8 ttm180 -45.67 -55.62 12.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.0 Cg_endo -69.71 -14.74 36.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.382 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -97.11 -19.36 18.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.405 HD11 ' HA ' ' A' ' 117' ' ' ARG . 3.4 pt -101.76 -48.63 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.403 ' N ' ' CG1' ' A' ' 120' ' ' ILE . 26.2 ttpp -48.51 -43.6 35.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.82 -36.25 86.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -70.0 -41.91 73.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.784 ' HB2' HD12 ' A' ' 127' ' ' LEU . 63.9 m-70 -111.86 92.89 18.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.9 Cg_endo -69.7 -7.47 21.12 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -93.61 -31.58 8.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.784 HD12 ' HB2' ' A' ' 124' ' ' HIS . 17.0 mt -60.24 134.81 57.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.8 t -107.98 166.99 10.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 56.9 mt -44.18 -36.34 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.52 -50.52 36.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 132' ' ' VAL . 11.7 m-20 -69.02 -58.62 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 131' ' ' ASP . 53.8 t -36.14 -45.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.85 -59.72 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.24 -36.55 9.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -63.51 -33.18 75.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.855 HD13 ' HB3' ' A' ' 113' ' ' CYS . 22.1 mt -82.38 -25.09 34.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.419 ' O ' ' ND2' ' A' ' 141' ' ' ASN . . . -68.74 -44.31 70.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.494 ' OE1' ' ND2' ' A' ' 142' ' ' ASN . 2.1 pp20? -71.52 -35.64 70.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 30.7 mtt -54.8 -64.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.535 ' CD1' ' HB2' ' A' ' 109' ' ' PHE . 1.7 t-105 -47.56 -38.78 14.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 137' ' ' GLY . 62.7 m-80 -72.66 -24.19 61.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASN . . . . . 0.494 ' ND2' ' OE1' ' A' ' 138' ' ' GLU . 21.3 p30 -111.29 26.91 10.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.4 m -110.97 138.9 46.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.63 144.59 45.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.044 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.84 -38.74 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -55.21 -35.33 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -73.45 -14.81 61.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -98.03 2.75 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.517 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.9 tt0 -51.06 -58.84 9.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.75 -21.57 33.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.728 2.286 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.523 ' CZ ' ' HA ' ' A' ' 112' ' ' PHE . 22.5 m-85 -85.21 -22.9 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -92.52 -53.41 4.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -51.05 -47.41 61.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -49.32 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -49.12 -30.59 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.95 -59.88 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -50.74 -26.59 5.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.84 -38.97 31.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 160' ' ' GLU . 0.3 OUTLIER -61.57 -48.63 80.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 161' ' ' LYS . 10.6 pt-20 -61.07 -50.82 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 160' ' ' GLU . 2.7 mmmp? -52.38 -21.18 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -85.82 -66.07 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -44.52 -37.09 3.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -43.04 72.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -61.49 -44.39 97.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 6.5 tt -69.71 -27.24 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -59.53 -29.76 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -85.23 -31.28 23.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -60.17 -48.21 82.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 170' ' ' ARG . 4.3 ptp180 -80.72 -50.54 9.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 170' ' ' ARG . . . -175.23 116.81 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.054 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -44.83 -50.73 10.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -106.72 155.7 19.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -132.53 93.89 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.28 -48.3 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 6' ' ' SER . 32.8 m 40.39 40.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.893 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 5' ' ' SER . 86.6 p 37.73 50.14 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.99 159.18 45.26 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.18 164.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.62 -118.79 0.52 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -173.63 125.43 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.403 ' N ' ' HB2' ' A' ' 91' ' ' GLU . . . -59.95 -146.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -130.63 86.87 51.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.636 0.731 . . . . 0.0 110.907 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -90.3 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.723 2.282 . . . . 0.0 112.362 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 15' ' ' LYS . 22.2 mtmt -82.45 -5.51 58.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HG2' ' CE2' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -33.03 126.78 0.4 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.587 0.708 . . . . 0.0 110.877 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 108.78 2.17 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -82.11 40.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' LYS . . . 115.05 148.98 9.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.591 ' HB3' ' CD2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -49.04 -179.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.7 mtp -111.14 176.14 5.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' SER . 3.6 t -93.32 156.78 16.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' SER . 1.9 m -36.69 -67.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.481 ' CD1' ' CG ' ' A' ' 56' ' ' TRP . 39.8 t80 -51.97 -46.08 64.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.946 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.48 -34.78 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -80.95 -44.12 18.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -55.23 -16.89 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.0 t -92.38 -26.93 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -91.95 -23.52 19.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 m -77.17 -64.98 1.01 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.5 m -51.34 -40.78 59.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 7.4 ptm180 -64.83 -38.24 90.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 36' ' ' LYS . 6.2 mm-40 -78.46 -21.46 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -80.89 -32.84 34.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LYS . 1.5 t-80 -59.84 -57.54 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -39.54 -29.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.4 OUTLIER -80.51 -41.32 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' HIS . 17.7 mmtp -69.75 -43.2 72.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.583 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 15.6 m-70 -134.73 93.99 17.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.612 0.72 . . . . 0.0 110.826 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.358 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.83 33.79 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.583 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . . . -89.43 178.59 6.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.8 m -127.78 101.99 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 p -126.31 144.22 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -103.62 179.43 4.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -98.42 -50.87 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -64.06 -20.59 66.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -85.64 -43.86 13.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 7.6 t80 -64.41 -23.49 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -82.95 -42.12 18.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.9 pttt -72.57 -20.99 61.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -86.49 -38.56 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.4 p -69.28 -24.63 63.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -75.85 -40.2 55.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -84.01 -14.03 51.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' HA ' HG22 ' A' ' 58' ' ' THR . 43.3 mtt-85 -91.17 -45.85 8.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.576 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 41.4 t-105 -58.51 -33.1 69.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.21 -40.04 46.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.941 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 58' ' ' THR . 1.2 t -80.21 12.69 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.9 mtm -95.6 111.83 23.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 64.7 m -47.21 161.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.88 -29.99 56.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -68.58 -52.45 31.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -51.92 -35.38 45.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 90.8 mttt -80.6 -32.61 36.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -36.6 -54.7 1.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.451 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -54.37 -56.35 19.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 31.0 m-85 -54.96 -33.78 62.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.93 -32.06 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -79.74 -39.44 31.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.401 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 5.0 mtm -70.3 -43.07 71.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 22' ' ' SER . . . -60.86 -48.25 82.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.453 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 13.3 pttm -64.55 -45.4 87.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.453 ' N ' ' CG ' ' A' ' 72' ' ' LYS . . . -70.05 -29.76 66.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.09 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.476 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 52.1 m-20 -61.35 -8.83 4.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -62.41 -25.23 67.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.42 -19.43 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.476 ' CG ' ' HA ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -86.27 -15.55 40.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.591 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -80.1 -28.64 39.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.481 ' HG2' ' CZ ' ' A' ' 78' ' ' TYR . 30.9 mt-10 -76.02 -14.82 60.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -88.89 -55.9 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.823 ' O ' HG22 ' A' ' 84' ' ' THR . 17.9 pt-20 -42.18 -35.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.6 tpp -37.61 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 81' ' ' GLU . 2.7 ptmm? -62.48 -48.84 77.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.823 HG22 ' O ' ' A' ' 81' ' ' GLU . 14.9 t -61.63 -16.1 45.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.214 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.55 ' CE1' ' HD3' ' A' ' 87' ' ' PRO . 0.7 OUTLIER -84.07 108.81 17.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.558 HG21 ' CG ' ' A' ' 98' ' ' ASP . 60.4 mt -118.03 95.03 47.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 111.16 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.55 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.7 146.51 60.78 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -173.0 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.68 124.13 31.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -154.62 -118.82 0.67 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' HB2' ' N ' ' A' ' 11' ' ' GLY . 71.3 mt-10 -51.24 -179.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 61.4 p -98.19 131.83 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 94' ' ' LYS . 10.9 mtmt -170.5 -175.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' LYS . 38.4 ttpt -32.58 145.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -59.62 127.63 32.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -175.08 148.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -161.04 144.51 13.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.558 ' CG ' HG21 ' A' ' 86' ' ' ILE . 14.4 t70 -129.54 102.36 18.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.567 0.698 . . . . 0.0 110.833 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 98' ' ' ASP . 53.3 Cg_endo -69.78 -15.02 36.81 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.676 2.251 . . . . 0.0 112.29 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -80.06 -28.17 39.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.72 138.02 23.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.556 0.694 . . . . 0.0 111.099 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.64 3.06 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.468 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 0.4 OUTLIER -110.7 152.23 26.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.0 mtm105 -103.15 142.83 25.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.674 0.75 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 166.59 27.05 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.691 2.261 . . . . 0.0 112.382 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 165.05 32.34 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 109' ' ' PHE . 41.9 p -111.63 154.79 24.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.4 -32.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.522 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 7.7 t80 -73.51 -55.86 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -57.36 -36.81 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 43.3 mt -63.1 -55.04 28.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.547 ' HB2' ' CE2' ' A' ' 151' ' ' TYR . 0.9 OUTLIER -56.61 -55.7 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.949 ' HB2' HD13 ' A' ' 136' ' ' LEU . 4.1 p -59.5 -31.15 69.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 t -65.9 -24.09 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -90.26 -23.4 21.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -98.51 -11.86 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.644 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 13.6 ttp180 -60.23 -52.3 74.16 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.63 0.729 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.1 Cg_endo -69.78 3.22 2.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -103.24 -50.41 3.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.492 ' CD1' HD21 ' A' ' 136' ' ' LEU . 9.3 pt -80.27 -37.93 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -51.6 -36.82 47.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.82 -16.4 75.27 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -87.26 -42.99 12.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -112.58 92.2 19.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.542 0.687 . . . . 0.0 110.83 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 1.71 4.16 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -98.98 -41.03 3.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.3 mt -52.42 119.61 4.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 130' ' ' GLY . 89.7 p -90.43 159.26 16.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' SER . 28.7 mt -33.71 -36.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 128' ' ' SER . . . -72.43 -54.35 7.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 132' ' ' VAL . 9.0 m-20 -60.04 -58.23 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ASP . 56.8 t -36.27 -51.88 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.54 20.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -53.1 -20.82 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 16.4 tptm -78.77 -42.64 27.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.949 HD13 ' HB2' ' A' ' 113' ' ' CYS . 5.7 mt -74.4 -12.16 60.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.36 -38.51 95.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 0.7 OUTLIER -66.67 -40.78 88.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.377 . . . . 0.0 110.908 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -57.58 -57.74 11.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.522 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 2.3 t-105 -52.58 -37.37 57.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -74.76 -29.59 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -103.72 27.54 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.5 m -120.07 109.37 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -44.24 139.34 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -54.01 -25.93 23.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -59.37 -36.48 75.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -71.2 -22.79 61.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.481 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 75.6 mttt -86.88 -4.48 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.507 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.2 tt0 -43.23 -59.63 3.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.538 0.685 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.8 Cg_endo -69.79 -26.77 27.1 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.354 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 10.6 m-85 -74.11 -27.79 61.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -91.53 -50.86 5.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -51.22 -41.03 60.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -68.08 -63.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -41.35 -37.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -53.68 -62.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -43.52 -57.95 2.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 78.8 mt -44.93 -46.54 11.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -43.07 -57.11 3.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -40.9 -43.32 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -60.74 -45.58 93.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 103' ' ' LYS . 37.6 t80 -66.94 -46.23 75.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.709 ' O ' ' HB2' ' A' ' 167' ' ' ALA . 58.2 mt-10 -51.7 -24.23 5.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -77.99 -50.55 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -60.14 -44.68 94.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.43 HD12 ' OH ' ' A' ' 162' ' ' TYR . 7.4 tt -75.26 -25.85 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.064 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 163' ' ' GLU . . . -57.42 -36.29 71.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -84.77 -19.62 32.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -68.18 -49.3 61.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -75.71 -41.19 54.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.47 80.75 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -49.25 115.79 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -124.55 116.9 23.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -53.32 162.41 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.04 -155.22 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -167.81 137.98 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.809 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -73.09 112.16 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.42 -57.85 14.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -57.16 159.44 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.47 -66.94 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -40.3 161.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.29 -95.31 0.83 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -121.47 157.21 56.96 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.596 0.712 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -20.51 34.79 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.334 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -56.97 -57.17 13.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -58.47 113.8 7.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 110.918 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 152.7 69.55 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -110.14 134.45 52.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.03 -90.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.579 ' HG2' ' CD2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -49.65 179.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.889 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.573 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 46.0 mtp -145.9 152.17 39.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' SER . 84.3 p -78.55 155.75 29.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' SER . 0.9 OUTLIER -36.0 -47.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 -179.806 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.499 ' O ' HG23 ' A' ' 27' ' ' VAL . 57.6 t80 -66.67 -56.35 11.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -42.24 -42.2 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.043 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 2.5 m-85 -80.94 -49.16 11.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.545 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -51.09 -33.41 25.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 23' ' ' TYR . 84.1 t -69.56 -32.83 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -91.5 -19.58 22.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.9 m -82.93 -48.9 10.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 m -65.82 -34.01 77.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 14.0 ptt180 -72.73 -44.73 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 33' ' ' GLU . 4.3 pt-20 -67.21 -46.74 72.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 10.3 mt-10 -52.0 -37.13 52.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' LYS . 2.5 t-80 -60.52 -63.58 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -38.31 -31.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.906 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' HIS . 1.9 mptp? -77.28 -47.32 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' HIS . 26.3 mmtm -63.08 -43.02 99.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 29.5 m-70 -134.2 94.36 18.11 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.54 0.686 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.9 Cg_endo -69.74 -45.66 1.52 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -54.92 -42.19 71.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.19 126.92 29.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -106.92 104.74 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.9 p -99.08 133.31 42.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -74.6 162.82 28.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -89.32 -51.22 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 m -53.88 -44.34 70.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -67.66 -50.66 56.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 15.8 t80 -41.76 -36.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -53.78 -45.07 70.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.86 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -77.66 -60.54 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.5 p -47.96 -31.42 5.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.1 t -68.17 -61.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -63.36 -24.16 67.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.471 ' HA ' ' CG2' ' A' ' 58' ' ' THR . 26.9 mtt-85 -82.84 -32.72 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.489 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 35.1 t-105 -67.8 -38.02 82.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -72.34 -51.38 20.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.504 HG23 ' N ' ' A' ' 59' ' ' MET . 6.0 t -55.84 -48.29 75.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.504 ' N ' HG23 ' A' ' 58' ' ' THR . 5.4 mtm -35.72 120.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 90.8 p -65.03 154.26 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.13 -44.53 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.067 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -49.82 -56.46 10.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -52.91 -60.05 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 81.1 mttt -49.74 -36.83 26.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -42.15 -72.48 0.28 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 3.4 pttm -47.26 -36.34 8.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.324 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.545 ' CD1' ' HB2' ' A' ' 26' ' ' PHE . 25.2 m-85 -70.74 -29.29 65.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -79.6 -42.65 24.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -65.55 -36.79 84.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 17.0 ptp -76.77 -35.74 57.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.98 -45.77 63.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 12.3 ptmt -56.18 -34.64 66.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -48.94 -42.06 35.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.02 -35.38 76.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.14 -38.62 3.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.66 -67.35 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.44 -25.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 19' ' ' LYS . 2.1 t80 -79.82 -36.79 36.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -52.4 -37.3 56.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -38.82 -46.61 1.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.1 -51.69 68.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 85' ' ' TYR . 29.0 tpp -43.24 -36.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -41.52 -47.32 3.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.7 p -70.6 -28.01 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 2.7 t80 -45.5 139.33 3.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.456 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 20.6 mt -134.88 102.23 11.26 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.602 0.715 . . . . 0.0 111.134 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 169.87 17.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.73 23.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.246 . . . . 0.0 112.37 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 44.08 46.28 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.55 -177.07 50.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.451 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.58 146.86 46.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.915 0.388 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' LYS . 7.8 t -81.96 161.25 23.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.169 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' THR . 70.3 mttt -34.63 133.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -75.09 175.07 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -52.56 178.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 97' ' ' LYS . 38.4 m-85 -125.34 143.7 50.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.482 ' C ' ' HD2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -48.23 178.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -110.06 94.57 18.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.553 0.692 . . . . 0.0 110.849 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -25.51 28.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.399 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.484 ' O ' ' CE2' ' A' ' 169' ' ' TYR . 24.4 m-20 -83.17 21.23 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.549 ' HB1' ' HD2' ' A' ' 102' ' ' PRO . . . -56.6 159.33 6.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 111.124 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.549 ' HD2' ' HB1' ' A' ' 101' ' ' ALA . 53.9 Cg_endo -69.76 150.8 68.7 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.446 ' N ' ' HE3' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -61.05 144.21 53.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -89.33 147.34 38.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.659 0.743 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 167.37 24.6 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.688 2.258 . . . . 0.0 112.379 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 179.09 3.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.722 2.281 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -123.3 175.83 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.37 -53.52 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.489 ' HB2' ' NE1' ' A' ' 140' ' ' TRP . 14.0 t80 -45.0 -70.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 109' ' ' PHE . 52.5 t80 -37.9 -42.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.21 -44.27 76.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 113' ' ' CYS . 0.7 OUTLIER -66.07 -54.91 19.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.523 ' HB2' HD13 ' A' ' 136' ' ' LEU . 0.8 OUTLIER -60.72 -34.36 74.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.4 t -71.52 -33.2 68.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -82.33 -21.72 35.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -93.54 -30.92 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.652 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 8.4 ttp180 -43.59 -51.75 15.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.1 Cg_endo -69.83 -19.5 35.7 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.348 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -85.51 -68.31 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 121' ' ' LYS . 41.7 pt -51.32 -36.34 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.445 ' N ' HG13 ' A' ' 120' ' ' ILE . 26.2 ttpp -57.78 -47.27 83.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -65.99 -38.65 94.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.82 -42.8 90.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 36.3 m-70 -110.11 94.62 18.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.8 Cg_endo -69.75 3.17 2.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.378 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -104.97 -41.8 1.9 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.44 ' HB3' HG22 ' A' ' 132' ' ' VAL . 69.8 mt -48.27 124.72 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.355 . . . . 0.0 110.913 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 129' ' ' ILE . 49.9 m -97.39 158.51 15.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 128' ' ' SER . 43.1 mt -33.99 -39.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.24 -53.96 12.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 132' ' ' VAL . 20.4 m-20 -66.18 -54.88 19.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' ' 127' ' ' LEU . 98.6 t -35.96 -44.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.04 -51.69 68.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.436 ' HE3' ' N ' ' A' ' 134' ' ' LYS . 0.1 OUTLIER -46.25 -39.41 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.1 -33.94 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 113' ' ' CYS . 16.5 mt -86.59 -24.59 25.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -67.75 -41.25 89.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.76 -42.93 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 37.6 mtp -46.52 -54.29 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.553 ' CH2' ' HG2' ' A' ' 148' ' ' LYS . 5.3 t-105 -54.29 -50.32 67.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -50.49 -39.64 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -100.4 38.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 66.0 m -111.27 134.6 52.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.57 162.28 25.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.39 87.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.94 -48.88 60.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.463 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 9.7 t70 -60.59 -18.23 51.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.553 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 59.9 mttt -102.16 19.27 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.537 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.3 tt0 -68.5 -57.46 8.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 110.948 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.7 Cg_endo -69.79 -34.53 14.28 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.413 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 26.0 m-85 -67.95 -36.19 79.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -77.04 -52.52 9.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 35.6 mttt -53.72 -51.5 63.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.83 -59.91 4.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -37.11 -36.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -53.21 -50.26 65.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.088 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -54.2 -51.37 64.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 159' ' ' LYS . 20.9 mt -49.78 -54.48 18.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 158' ' ' LEU . 31.6 tttp -37.03 -42.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -40.26 -51.16 2.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -52.58 -52.4 55.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.573 ' O ' HG22 ' A' ' 166' ' ' ILE . 31.8 t80 -61.1 -47.89 84.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.67 -37.77 76.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -75.39 -37.86 60.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -67.88 -50.18 57.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 162' ' ' TYR . 5.3 tt -59.02 -48.45 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.571 ' O ' ' HB3' ' A' ' 171' ' ' ALA . . . -36.96 -45.71 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -78.45 -35.42 46.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.484 ' CE2' ' O ' ' A' ' 100' ' ' ASN . 8.0 t80 -51.51 -40.04 58.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.427 ' NH1' ' HA ' ' A' ' 167' ' ' ALA . 0.8 OUTLIER -115.54 -23.7 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 167' ' ' ALA . . . -130.4 71.12 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -43.55 -47.25 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.926 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 t -90.99 148.26 22.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.96 0.41 . . . . 0.0 110.809 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 p -53.64 -56.36 17.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.97 -114.9 0.84 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -174.72 161.74 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -150.17 142.32 24.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.14 158.97 30.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.3 ttt -113.2 -64.04 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.75 159.38 8.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' ASP . 37.7 mtpt -154.27 175.97 12.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' LYS . . . -36.52 96.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 10' ' ' LYS . 14.7 m-20 -161.14 154.28 17.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -10.87 29.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -65.73 -33.7 76.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.459 ' C ' ' H ' ' A' ' 17' ' ' ARG . 24.7 mtpt -87.48 108.93 22.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.915 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.599 ' HG2' ' HE3' ' A' ' 82' ' ' MET . 53.5 Cg_endo -69.79 16.34 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.262 . . . . 0.0 112.315 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 9.4 ptp180 -82.29 37.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.94 102.11 0.22 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.649 ' HD3' ' CD2' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -51.86 -174.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.309 . . . . 0.0 110.931 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.425 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 41.3 mtp -133.13 143.69 49.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -96.9 157.07 16.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.2 p -38.47 -45.24 1.02 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -61.07 -57.4 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.47 -39.91 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 17.5 m-85 -77.8 -57.99 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -45.12 -42.52 8.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.2 -30.02 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.39 -14.38 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.8 m -83.05 -35.97 25.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.7 p -77.86 -34.28 51.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -68.82 -37.4 79.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.539 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 8.0 pt-20 -71.7 -50.28 31.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.539 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 11.3 mt-10 -54.01 -39.86 66.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' LYS . 53.8 t60 -64.16 -67.73 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -41.52 -24.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' HIS . 17.0 mmmt -81.27 -45.99 15.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -67.47 -42.53 82.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 14.6 m-70 -132.94 94.52 20.71 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.592 0.71 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 54.5 Cg_endo -69.68 -45.36 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.7 2.267 . . . . 0.0 112.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -59.38 -40.09 85.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.44 106.81 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.2 m -92.54 89.53 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 p -90.14 141.7 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -76.7 176.23 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 46' ' ' SER . 25.8 p90 -88.91 -47.7 7.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 25.5 t -61.83 -39.14 90.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.05 -41.29 99.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -75.41 -34.75 61.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m -60.53 -58.28 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -57.7 -25.29 60.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.75 -43.11 26.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.0 p -67.75 -29.81 69.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.2 t -66.37 -49.53 66.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -77.61 -21.23 52.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.523 ' HA ' HG22 ' A' ' 58' ' ' THR . 78.6 mtt180 -82.97 -23.98 33.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.497 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 48.1 t-105 -80.53 -35.48 34.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -80.22 -30.2 38.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 55' ' ' ARG . 14.1 t -75.03 -27.69 60.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.3 mtm -64.97 128.09 34.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.2 m -68.25 168.37 12.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.07 -49.29 66.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -48.64 -38.2 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -70.9 -44.35 66.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 71.0 mttt -69.02 -25.42 64.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -38.93 -67.72 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.4 pttm -56.74 -37.51 71.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 26' ' ' PHE . 33.5 m-85 -67.08 -23.16 65.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -78.33 -47.37 17.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -70.63 -55.82 7.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.481 ' HE2' ' HB3' ' A' ' 70' ' ' MET . 8.7 ptp -48.65 -31.56 6.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.73 75.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -55.85 -37.53 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.61 -38.02 30.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LYS . 13.0 t70 -42.28 -46.85 4.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' ASP . 22.5 tttm -37.82 -42.84 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.97 -64.54 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -12.47 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.661 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -69.89 -30.19 67.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -83.31 -37.23 23.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -67.51 -32.91 74.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.415 ' O ' HG22 ' A' ' 84' ' ' THR . 24.2 mm-40 -54.18 -47.58 71.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.599 ' HE3' ' HG2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -38.06 -37.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.529 ' CG ' ' N ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -51.83 -49.64 62.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.529 ' N ' ' CG ' ' A' ' 83' ' ' LYS . 11.1 t -86.94 14.23 7.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.489 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 15.3 t80 -40.29 156.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.489 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 20.3 mt -140.54 111.34 6.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.639 0.733 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 160.29 50.23 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -170.58 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.724 2.283 . . . . 0.0 112.318 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -46.73 97.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -134.39 -28.71 0.46 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.447 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -140.15 179.42 6.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.951 0.405 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.2 m -61.05 121.35 12.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -142.85 -176.62 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.24 -26.51 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.34 151.26 21.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -108.58 151.97 25.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -107.07 -179.45 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -118.37 80.99 16.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.54 0.686 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -10.19 27.91 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -70.82 -39.74 72.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.99 140.7 3.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.571 0.701 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 138.59 38.2 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.324 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -80.2 162.07 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -88.14 141.29 30.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.557 0.694 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 169.7 18.33 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.73 2.287 . . . . 0.0 112.331 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.538 ' HB2' ' CD1' ' A' ' 110' ' ' PHE . 54.0 Cg_endo -69.74 171.12 15.02 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.695 2.263 . . . . 0.0 112.356 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.3 p -115.11 178.73 4.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.62 -37.44 63.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.48 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 3.0 t80 -62.75 -48.34 79.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 106' ' ' PRO . 4.0 t80 -58.7 -45.87 88.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.8 mt -60.11 -46.01 91.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.586 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -64.34 -49.66 70.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.688 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.7 p -61.8 -29.46 70.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.9 t -76.47 -16.26 59.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -101.44 -15.83 17.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.432 ' HA ' ' HB3' ' A' ' 119' ' ' LYS . 6.8 m-85 -103.89 -44.18 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.588 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 6.4 ttt180 -38.28 -55.21 2.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.617 0.723 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.6 Cg_endo -69.71 -28.06 25.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 116' ' ' TYR . 7.8 tttt -70.68 -55.45 8.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 21.2 pt -67.58 -32.43 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -56.9 -46.98 81.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -66.69 -35.22 89.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -45.07 71.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.918 ' HB2' HD12 ' A' ' 127' ' ' LEU . 68.7 m-70 -108.55 93.32 11.61 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 0.1 6.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -100.84 -35.76 4.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.918 HD12 ' HB2' ' A' ' 124' ' ' HIS . 23.2 mt -50.58 127.71 18.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 131' ' ' ASP . 4.3 m -96.15 155.92 16.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 39.7 mt -40.39 -35.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -66.58 -39.26 93.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 134' ' ' LYS . 1.6 m-20 -79.93 -61.63 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 131' ' ' ASP . 72.4 t -32.75 -34.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 131' ' ' ASP . . . -77.88 -46.24 21.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 131' ' ' ASP . 8.6 ptpt -56.33 -35.07 67.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 42.1 mttt -68.87 -27.5 65.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' A' ' 113' ' ' CYS . 52.7 mt -82.88 -35.74 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -55.87 -39.73 78.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.471 ' O ' ' ND2' ' A' ' 142' ' ' ASN . 11.1 pt-20 -89.17 -41.95 11.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 110.83 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 13.3 mmm -43.52 -49.96 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.586 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 7.5 t-105 -59.73 -52.54 65.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -48.36 -43.67 33.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 138' ' ' GLU . 45.3 m-80 -72.79 -36.0 67.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 22.1 m -52.2 125.93 17.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.54 165.58 9.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.078 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.48 -32.22 72.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.95 -49.17 77.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -58.83 -12.47 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.484 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 84.9 mttt -99.86 20.86 13.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.525 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.8 tt0 -67.57 -58.15 8.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.624 0.726 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.74 -14.91 36.82 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.297 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -92.73 -52.96 4.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.61 -54.41 43.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 23.5 mmtt -58.95 -41.38 87.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 150' ' ' PRO . 6.4 mmmt -57.11 -58.71 7.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -48.41 -40.13 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -48.34 -47.72 36.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -58.48 -45.01 89.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.28 -45.01 94.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -47.29 -34.15 6.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -57.96 -42.42 84.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -63.52 -20.16 65.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.454 ' O ' HG22 ' A' ' 166' ' ' ILE . 7.7 t80 -91.21 -52.37 4.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -56.62 -31.96 64.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.409 ' C ' ' HD3' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -75.33 -41.64 56.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -66.09 -51.65 56.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 162' ' ' TYR . 10.0 tt -62.26 -22.24 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -60.81 -35.79 77.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -84.44 -34.26 23.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -47.04 -59.81 2.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -64.47 -40.04 94.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -166.51 113.38 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -57.36 123.88 16.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -167.33 162.98 15.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 m -41.11 -48.44 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.98 -110.36 2.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -63.96 142.57 58.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.9 p -45.57 -46.92 14.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.2 78.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.9 ttp -69.31 111.47 5.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.05 112.05 1.56 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -114.99 -39.1 3.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 12' ' ' ASP . . . -142.32 -130.89 2.54 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 11' ' ' GLY . 0.5 OUTLIER 32.62 55.0 1.13 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 12' ' ' ASP . 53.6 Cg_endo -69.76 -4.18 13.5 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.734 2.289 . . . . 0.0 112.32 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -81.49 -47.04 13.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 15' ' ' LYS . 3.3 ttpm? -44.41 119.06 3.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.604 0.716 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 149.5 67.22 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -145.03 160.16 41.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.83 -46.19 0.84 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 43.0 mtmt -40.29 108.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.769 0.319 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 19.3 mtp -113.09 143.75 43.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 22' ' ' SER . 4.4 t -86.32 163.8 17.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.438 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 3.7 m -36.36 -62.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.582 ' O ' HG23 ' A' ' 27' ' ' VAL . 47.9 t80 -54.76 -58.72 6.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.975 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.36 -39.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 4.1 m-85 -81.06 -59.81 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.56 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -42.5 -44.26 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.777 HG13 ' SG ' ' A' ' 52' ' ' CYS . 66.0 t -56.78 -35.46 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -89.35 -15.49 33.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 m -77.86 -29.15 50.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 p -82.35 -47.88 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 7.8 ptm180 -47.39 -44.35 24.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 19.7 mt-10 -61.65 -43.02 99.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -57.75 -33.45 68.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' LYS . 23.3 t-80 -68.08 -58.65 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -42.1 -25.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.931 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 34' ' ' HIS . 18.6 mmtp -80.08 -42.29 23.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' HIS . 4.3 mmpt? -71.23 -45.41 63.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 9.1 m-70 -134.23 93.49 19.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.711 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.79 -49.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -59.72 -33.89 72.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.4 122.57 21.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.2 p -99.38 71.06 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 43' ' ' VAL . 4.7 p -42.72 125.1 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.9 136.24 56.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -68.49 -58.89 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.0 m -44.64 -48.65 10.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -66.49 -51.27 58.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -41.38 -40.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.1 t -45.75 -53.19 9.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -52.4 -28.59 20.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.401 ' O ' ' HD2' ' A' ' 55' ' ' ARG . 3.6 tptt -73.38 -55.01 6.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.777 ' SG ' HG13 ' A' ' 27' ' ' VAL . 73.0 m -54.98 -36.77 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.6 p -66.89 -57.7 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -58.84 -22.5 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.44 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.0 OUTLIER -86.7 -41.53 14.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.512 ' CD2' ' HE2' ' A' ' 64' ' ' LYS . 74.0 t-105 -67.9 -36.15 79.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 58' ' ' THR . 13.9 ptmt -72.12 -42.6 65.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.478 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 15.2 t -74.64 -40.92 61.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.439 ' N ' HG23 ' A' ' 58' ' ' THR . 3.4 mtm -50.05 122.49 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 p -76.38 175.39 9.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.28 -38.45 65.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 19.0 pttp -52.27 -44.53 65.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 62' ' ' LYS . 5.6 mm-40 -72.32 -58.35 3.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.512 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 71.2 mttt -53.01 -30.1 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.38 -78.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 46.7 pttt -41.51 -49.82 3.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 14.0 m-85 -54.22 -39.49 66.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.72 -34.67 77.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -73.89 -37.86 64.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.6 mtm -69.09 -48.55 62.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' A' ' 22' ' ' SER . . . -58.2 -43.68 87.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 10.0 ptmt -70.23 -35.63 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -57.14 -37.02 71.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.45 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -71.97 -33.78 68.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -52.49 -27.14 15.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.65 -61.6 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.058 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.403 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 1.5 ppt_? -50.42 -27.63 6.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.528 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 3.5 t80 -67.03 -39.01 86.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 80' ' ' ARG . 38.2 mt-10 -43.39 -39.32 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 79' ' ' GLU . 3.1 tmt_? -34.5 -47.7 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.03 -55.74 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.8 ttm -45.05 -25.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -70.98 -46.03 63.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.2 p -69.24 -29.0 66.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -83.78 151.3 25.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 mt -134.81 99.21 12.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.653 0.739 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.26 22.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 169.41 18.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -52.08 109.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -136.93 179.78 17.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -84.6 164.21 18.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.935 0.398 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 93' ' ' LYS . 29.6 m -162.66 160.45 25.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.515 ' N ' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -105.38 157.73 17.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -148.7 133.89 18.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -137.57 133.4 34.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.9 p90 -109.71 113.66 26.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -141.11 152.15 44.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -109.03 72.43 0.48 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.75 37.35 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -70.28 -40.75 74.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -40.22 126.72 1.71 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.567 0.699 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.21 54.22 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.49 144.82 29.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.416 ' H ' ' CD ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -74.63 138.02 74.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.902 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 164.99 32.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.307 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 163.36 38.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 110' ' ' PHE . 68.4 m -118.34 157.68 26.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.443 ' HB1' ' HZ2' ' A' ' 140' ' ' TRP . . . -36.07 -55.13 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.081 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.56 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 8.1 t80 -53.4 -37.87 62.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 107' ' ' SER . 10.4 t80 -69.77 -54.18 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 41.0 mt -50.31 -49.14 54.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.458 ' CE2' ' CZ ' ' A' ' 116' ' ' TYR . 2.1 t80 -60.41 -56.15 24.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.588 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.9 p -57.5 -29.57 64.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.0 t -73.18 -22.45 60.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -94.76 -21.61 18.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.458 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 4.7 m-85 -94.28 -22.13 18.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.645 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 7.3 ttp180 -52.55 -52.04 67.45 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.645 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.76 -4.33 13.8 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -98.83 -37.88 9.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.9 pt -89.58 -36.85 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -56.66 -42.45 78.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -71.4 -35.6 63.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -70.76 -43.73 68.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.382 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.85 ' HB2' HD12 ' A' ' 127' ' ' LEU . 21.9 m-70 -112.28 91.34 16.04 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.632 0.729 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -18.08 37.27 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.644 2.229 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.01 -41.11 10.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.85 HD12 ' HB2' ' A' ' 124' ' ' HIS . 48.6 mt -48.06 127.48 12.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 129' ' ' ILE . 10.3 p -96.25 159.34 15.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 128' ' ' SER . 69.5 mt -36.27 -44.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.05 -54.43 33.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 132' ' ' VAL . 45.3 m-20 -63.77 -59.21 4.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.824 0.345 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 131' ' ' ASP . 91.6 t -35.8 -39.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.37 -51.28 70.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.27 -38.19 39.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -61.51 -26.96 68.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.588 HD13 ' HB2' ' A' ' 113' ' ' CYS . 11.6 mt -91.18 -32.64 15.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.04 -38.75 77.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 139' ' ' MET . 12.0 pt-20 -80.96 -47.38 13.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.458 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 25.0 mtt -39.46 -57.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.56 ' CD1' ' HB2' ' A' ' 109' ' ' PHE . 2.1 t-105 -55.48 -41.5 73.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -65.92 -24.25 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -100.39 28.36 5.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 16.3 m -113.99 150.35 33.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -92.25 153.13 19.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.105 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -51.24 -41.97 60.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.28 -30.95 69.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.84 12.39 7.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -125.07 -16.86 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.644 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 3.0 tp60 -45.43 -51.64 25.96 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.58 0.705 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.5 Cg_endo -69.76 -38.4 7.86 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.3 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -66.8 -25.22 66.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -93.81 -61.2 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -40.66 -38.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -72.05 -47.36 52.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.48 77.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -48.22 -49.21 33.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -48.58 -42.77 34.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 17.4 mt -72.34 -32.41 66.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -59.34 -43.71 92.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -49.74 -46.42 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -61.38 -46.73 88.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.447 ' O ' HG22 ' A' ' 166' ' ' ILE . 10.1 t80 -57.82 -57.96 10.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 167' ' ' ALA . 12.4 mt-10 -47.45 -37.92 12.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -70.97 -46.9 61.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -59.5 -53.45 57.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 167' ' ' ALA . 6.2 tt -64.43 -42.46 95.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 163' ' ' GLU . . . -38.59 -36.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -78.09 -43.73 28.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -50.16 -52.2 37.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -64.98 -40.79 95.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -166.47 110.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -65.4 89.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 m -62.72 174.17 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 110.818 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -72.9 163.88 27.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.76 44.35 1.27 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -139.83 144.7 37.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -86.71 11.38 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.95 74.24 0.4 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 ptp -55.05 -47.75 74.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.1 99.86 2.37 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -97.41 -46.11 6.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.333 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.16 82.46 0.28 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -88.17 139.35 30.47 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.59 0.709 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -8.05 22.62 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.654 2.236 . . . . 0.0 112.351 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -89.5 -45.26 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -51.77 120.71 16.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.564 0.697 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 96.12 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.641 2.227 . . . . 0.0 112.383 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -68.22 152.54 45.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.47 -39.09 0.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 24.7 mttt -51.43 135.42 27.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.71 0.291 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.549 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 8.7 mtm -124.35 173.99 8.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.532 ' H ' ' HB3' ' A' ' 24' ' ' ALA . 74.1 m -105.22 176.43 5.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.8 p -48.43 -57.3 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.521 ' O ' HG23 ' A' ' 27' ' ' VAL . 46.4 t80 -62.46 -55.39 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HB3' ' H ' ' A' ' 21' ' ' SER . . . -46.66 -36.57 7.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.072 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 8.7 m-85 -80.4 -49.17 11.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.511 ' CE1' ' SD ' ' A' ' 59' ' ' MET . 0.5 OUTLIER -51.63 -28.99 16.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 23' ' ' TYR . 98.6 t -72.51 -29.99 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -92.12 -23.86 19.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -71.11 -24.03 62.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 95.8 m -91.64 -37.38 13.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 7.9 ptm180 -65.04 -43.39 92.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 31.5 mt-10 -66.83 -45.87 76.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -64.41 -30.91 71.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' LYS . 39.0 t60 -63.55 -70.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -38.99 -26.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -76.54 -42.24 43.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' HIS . 32.9 mmtt -82.04 -47.91 12.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.958 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 33.1 m-70 -134.51 93.22 18.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 0.0 110.821 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -46.91 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -100.94 36.92 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.958 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . . . -83.68 30.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.5 t 41.63 47.24 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.9 p -79.24 128.19 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -103.74 136.66 43.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -67.1 -44.56 79.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -60.27 -43.78 95.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -67.4 -52.7 36.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -49.34 -35.82 19.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.2 t -63.11 -52.54 62.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 51' ' ' LYS . 21.0 pttt -68.19 -32.01 71.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 27.6 mtmt -67.9 -43.49 79.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.444 ' HB3' HG22 ' A' ' 27' ' ' VAL . 8.7 m -58.67 -35.65 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.4 t -66.21 -58.36 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.89 -17.04 62.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.4 mtt85 -92.49 -23.97 18.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.479 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 59.3 t-105 -83.32 -34.29 25.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -23.47 58.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.9 t -91.05 -28.44 17.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.511 ' SD ' ' CE1' ' A' ' 26' ' ' PHE . 13.9 mtp -57.04 111.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 t -52.95 161.16 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.09 -38.99 55.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -57.03 -39.57 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -70.35 -41.48 73.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 80.5 mttt -71.46 -26.63 62.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.53 -67.48 1.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -50.43 -37.53 38.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.684 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 29.4 m-85 -70.19 -27.22 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.93 -37.41 62.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -75.94 -56.06 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.684 ' HE3' ' HA ' ' A' ' 67' ' ' PHE . 9.6 ptp -53.32 -38.15 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.07 92.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -67.08 -30.82 70.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.8 -23.86 67.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 75' ' ' LYS . 2.0 p-10 -60.6 -24.59 65.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.461 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 2.9 ptmm? -54.57 -21.54 10.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.02 -64.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -47.77 -22.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.563 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -78.06 -35.05 50.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -57.39 -20.82 32.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 13.2 mtp-105 -54.14 -38.33 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -73.84 -25.49 60.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.6 mtp -70.32 -8.53 51.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -73.65 -47.75 37.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.9 t -72.7 -6.72 46.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -50.26 120.22 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 38.8 mt -122.58 105.21 36.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 169.84 17.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 168.33 21.89 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -62.35 116.8 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 175.43 42.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -57.48 120.52 8.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.931 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.2 p -63.62 127.82 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -113.43 41.78 2.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -49.57 162.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -121.36 31.46 6.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -164.22 142.65 7.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -112.16 160.46 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.79 79.1 5.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.707 . . . . 0.0 110.83 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -16.23 37.32 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.42 -41.99 72.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.65 131.89 85.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.563 0.697 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 171.02 15.21 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.557 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -118.37 172.01 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.92 135.18 20.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 164.35 34.88 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.348 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 169.35 19.07 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.355 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 110' ' ' PHE . 3.7 p -112.15 154.73 25.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -35.38 -46.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.591 ' CE1' ' SG ' ' A' ' 113' ' ' CYS . 12.7 t80 -64.5 -44.66 90.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 107' ' ' SER . 27.6 t80 -63.06 -44.3 96.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.5 mt -56.16 -61.97 2.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.557 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 0.6 OUTLIER -50.16 -45.65 53.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.591 ' SG ' ' CE1' ' A' ' 109' ' ' PHE . 89.8 m -61.96 -42.7 99.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 t -67.29 -8.52 32.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -99.3 -35.02 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.459 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 2.8 m-85 -86.6 -34.97 19.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.615 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 7.9 ttt180 -35.51 -53.29 1.32 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.1 Cg_endo -69.73 -31.81 19.9 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 116' ' ' TYR . 0.0 OUTLIER -74.78 -24.99 58.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.666 ' CD1' HG13 ' A' ' 132' ' ' VAL . 47.2 pt -97.53 -33.46 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.43 ' N ' HG13 ' A' ' 120' ' ' ILE . 35.9 ttpt -60.63 -54.07 49.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -56.28 -24.74 46.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -85.18 -51.28 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.385 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -111.62 88.68 9.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -11.74 31.43 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.258 . . . . 0.0 112.36 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -80.11 -43.4 9.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.51 HD13 ' HD3' ' A' ' 135' ' ' LYS . 92.6 mt -56.87 135.89 55.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.9 t -109.33 176.98 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 39.0 mt -44.75 -41.36 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.11 -58.65 9.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 132' ' ' VAL . 66.1 m-20 -65.22 -61.28 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.666 HG13 ' CD1' ' A' ' 120' ' ' ILE . 43.4 t -33.85 -50.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.6 -49.59 61.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 131' ' ' ASP . 1.4 tmtp? -53.38 -35.64 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.51 ' HD3' HD13 ' A' ' 127' ' ' LEU . 1.2 mptp? -68.96 -23.31 64.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.531 HD13 ' HB3' ' A' ' 113' ' ' CYS . 21.0 mt -93.01 -24.2 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.77 -43.09 96.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -70.26 -45.95 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 15.6 mtm -49.22 -46.11 45.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.557 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 2.1 t-105 -61.67 -40.01 93.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -63.49 -41.46 98.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -76.37 -34.36 58.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.4 m -52.84 129.82 31.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.6 145.14 52.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.72 -47.09 67.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -40.22 62.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.17 -22.47 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.537 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 43.7 mttt -86.86 2.56 48.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.505 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.0 tt0 -47.96 -59.45 5.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.706 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.5 Cg_endo -69.74 -18.3 37.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 112' ' ' PHE . 14.7 m-85 -84.06 -28.93 27.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -92.72 -55.21 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -45.76 -40.76 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.65 -47.53 63.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.877 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.29 -11.33 2.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -81.51 -69.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -46.43 -41.85 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.6 -36.68 84.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -70.69 -27.53 64.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -66.2 -47.89 72.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -64.8 -12.31 46.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 103' ' ' LYS . 11.8 t80 -89.87 -67.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 167' ' ' ALA . 5.2 mm-40 -49.69 -36.5 25.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -70.04 -40.99 74.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -67.36 -54.97 15.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 7.5 tt -63.71 -23.62 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 163' ' ' GLU . . . -61.07 -20.26 62.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -101.45 -28.18 12.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -59.39 -46.46 88.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -80.05 -39.35 29.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -113.65 81.15 1.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -65.2 141.97 58.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m 62.79 42.86 7.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -128.36 176.46 7.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.98 -115.03 0.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 p -108.46 135.81 49.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -118.62 89.42 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.53 108.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.2 mtm -115.92 142.69 46.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.32 121.94 3.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -103.26 -28.55 11.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.42 -146.92 16.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -57.53 143.43 74.99 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.585 0.707 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -2.4 10.09 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -49.8 23.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.499 ' HG3' ' CZ ' ' A' ' 85' ' ' TYR . 35.1 ttmt -47.84 114.07 3.04 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.552 0.692 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.596 ' HD2' ' CD2' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.73 145.59 57.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -93.82 24.15 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.74 -156.42 22.49 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 2.7 mtmp? -92.91 -175.68 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.475 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 40.8 mtp -128.18 147.5 50.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -97.1 164.61 12.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.454 ' HB2' ' CH2' ' A' ' 56' ' ' TRP . 3.5 p -42.78 -43.68 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CE2' HG21 ' A' ' 27' ' ' VAL . 51.9 t80 -67.46 -58.0 5.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.06 -36.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 3.6 m-85 -86.78 -40.59 14.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -60.43 -28.58 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.61 HG21 ' CE2' ' A' ' 23' ' ' TYR . 62.0 t -78.88 -28.52 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -92.07 -20.1 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.1 m -84.74 -54.34 4.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.3 m -61.89 -20.42 63.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 8.9 ptm180 -86.45 -45.66 10.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 0.6 OUTLIER -66.56 -40.51 89.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.56 -41.36 85.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 37' ' ' LYS . 25.1 t60 -55.79 -60.4 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -41.81 -28.8 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -87.05 -33.24 19.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.0 mmpt? -71.72 -35.26 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.424 ' CG ' ' C ' ' A' ' 37' ' ' LYS . 6.4 m80 -155.52 105.07 2.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 110.856 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 54.1 Cg_endo -69.77 -44.14 2.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -53.76 -40.08 65.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.54 114.75 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' VAL . 5.0 t -95.97 49.71 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' SER . 2.8 p -37.87 137.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 7.0 m120 -82.47 108.35 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 3.1 p90 -46.84 -21.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 t -86.61 -40.12 15.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 48' ' ' PHE . 8.5 pt-20 -72.99 -47.52 44.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.479 ' N ' ' CG ' ' A' ' 47' ' ' GLU . 30.8 t80 -52.53 -41.83 63.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' CYS . 16.1 t -63.5 -69.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -40.73 -25.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' SER . 11.2 tttt -82.21 -42.22 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' SER . 4.8 m -48.35 -29.42 3.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.5 t -61.85 -72.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -13.12 61.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' C ' HG22 ' A' ' 58' ' ' THR . 18.7 ttt-85 -85.31 -24.42 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.567 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 16.3 t-105 -81.66 -47.21 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -64.89 -45.5 85.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.433 HG22 ' C ' ' A' ' 55' ' ' ARG . 8.5 t -49.74 -37.4 29.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.7 mtm -52.53 161.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.5 m -103.75 155.86 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.5 -34.68 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -47.97 81.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.16 -31.61 72.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 87.8 mttt -82.02 -25.07 35.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -43.61 -65.86 1.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.435 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -51.7 -42.46 62.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.449 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 12.0 m-85 -64.2 -30.25 71.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -79.79 -36.49 37.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -72.65 -27.51 62.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.789 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.0 ptp -81.78 -27.55 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.58 -41.6 19.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 25.6 pttt -57.44 -38.01 73.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -76.66 -22.01 54.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.403 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 0.2 OUTLIER -83.8 -6.25 59.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 75' ' ' LYS . 4.6 tmtm? -79.71 -13.74 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -116.04 -32.08 5.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.403 ' CG ' ' HA ' ' A' ' 74' ' ' ASP . 0.1 OUTLIER -71.34 -19.38 62.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.478 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 1.9 p90 -67.58 -29.53 68.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -60.88 -35.74 77.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.9 ttp85 -60.06 -48.34 82.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.63 ' O ' HG22 ' A' ' 84' ' ' THR . 39.0 mt-10 -52.06 -30.55 26.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.9 mtp -57.57 -11.89 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -78.2 -36.93 46.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 81' ' ' GLU . 15.3 t -83.58 -0.78 51.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.612 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -92.8 103.23 15.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.0 mt -112.51 98.57 44.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.497 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.81 169.82 18.08 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 89' ' ' LYS . 53.6 Cg_endo -69.77 -179.77 3.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 88' ' ' PRO . 8.8 tptm -34.1 99.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.25 -83.62 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -120.55 175.84 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.387 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.9 p -140.92 122.55 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -124.66 162.22 24.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -122.15 134.13 54.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -113.55 158.14 21.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -96.37 176.98 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -123.76 149.02 46.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.543 ' HB2' ' HB2' ' A' ' 101' ' ' ALA . 8.2 p30 -130.06 100.8 18.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.882 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -38.76 7.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.23 . . . . 0.0 112.367 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.587 ' O ' ' CE1' ' A' ' 169' ' ' TYR . 15.9 m-80 -87.24 24.03 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.666 ' HB1' ' HD2' ' A' ' 102' ' ' PRO . . . -92.96 163.57 24.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.666 ' HD2' ' HB1' ' A' ' 101' ' ' ALA . 53.4 Cg_endo -69.81 161.7 44.93 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.719 2.279 . . . . 0.0 112.301 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 22.8 mtmt -70.18 163.8 25.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -96.34 147.03 32.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.554 0.692 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 166.7 26.67 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 155.45 65.72 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.374 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 110' ' ' PHE . 25.5 p -111.36 160.38 17.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -35.31 -42.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.517 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 9.0 t80 -61.39 -46.81 88.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 107' ' ' SER . 17.3 t80 -61.32 -47.21 86.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.1 mt -54.55 -46.58 73.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 113' ' ' CYS . 1.1 t80 -67.83 -60.32 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.547 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.5 p -50.81 -30.4 14.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.2 t -83.3 -27.81 29.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.445 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -81.31 -27.11 35.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.551 ' CD2' ' HD3' ' A' ' 119' ' ' LYS . 3.1 m-85 -93.33 -31.42 14.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.626 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 6.9 ttt180 -36.0 -53.31 1.54 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.4 Cg_endo -69.77 -32.96 17.51 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.26 . . . . 0.0 112.33 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.551 ' HD3' ' CD2' ' A' ' 116' ' ' TYR . 6.3 ptmt -74.57 -23.07 58.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.569 ' CD1' HG13 ' A' ' 132' ' ' VAL . 45.5 pt -96.14 -34.76 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.467 ' N ' HG13 ' A' ' 120' ' ' ILE . 0.0 OUTLIER -57.38 -53.91 52.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.793 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -56.43 -36.48 70.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -71.75 -44.25 64.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.509 ' CB ' HD12 ' A' ' 127' ' ' LEU . 17.0 m-70 -115.24 89.8 22.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.59 0.709 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -18.15 37.06 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.262 . . . . 0.0 112.34 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -78.06 -45.03 10.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.713 HD22 ' HB3' ' A' ' 131' ' ' ASP . 72.4 mt -56.53 130.19 44.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' ILE . 77.6 p -106.23 170.06 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.81 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' SER . 94.2 mt -35.22 -45.36 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -58.69 -61.56 7.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.713 ' HB3' HD22 ' A' ' 127' ' ' LEU . 30.5 m-20 -65.62 -58.45 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 120' ' ' ILE . 93.5 t -35.3 -39.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.36 -44.18 62.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 131' ' ' ASP . 5.9 mmmm -61.16 -19.01 61.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -85.01 -25.56 27.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.554 HD21 HD13 ' A' ' 120' ' ' ILE . 7.3 mt -92.81 -20.49 20.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.33 -39.4 95.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -80.0 -44.01 20.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 4.5 mtt -42.14 -47.51 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.517 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 4.7 t-105 -63.91 -46.87 82.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -52.91 -34.26 54.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -102.28 31.51 3.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 45.9 m -107.73 134.67 50.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.43 140.81 46.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -51.45 -39.17 56.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -37.37 73.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -69.59 -19.51 63.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 152' ' ' GLU . 64.7 mttt -90.73 2.64 55.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.513 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.1 tt0 -48.63 -59.24 6.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.8 Cg_endo -69.76 -27.32 26.61 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -80.95 -20.54 41.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 148' ' ' LYS . 8.8 mt-10 -93.29 -54.45 3.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 86.7 mttt -54.28 -48.87 70.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -55.68 -57.02 13.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -38.66 -38.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -51.67 -64.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -41.3 -61.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 79.7 mt -45.0 -40.92 6.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -44.27 -40.55 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -50.36 -48.74 55.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -51.51 -29.5 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 103' ' ' LYS . 55.4 t80 -86.92 -53.61 4.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -51.32 -33.66 30.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -77.65 -42.08 36.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -65.99 -30.5 71.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 162' ' ' TYR . 15.0 tt -84.18 -38.41 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 170' ' ' ARG . . . -47.97 -21.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -97.03 -25.09 15.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 100' ' ' ASN . 2.6 t80 -61.19 -49.01 78.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 167' ' ' ALA . 0.0 OUTLIER -91.04 -28.81 17.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.46 ' N ' ' HG2' ' A' ' 170' ' ' ARG . . . -133.96 67.56 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.057 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.11 -31.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -115.08 171.49 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -64.49 -48.89 73.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.8 -174.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -150.6 147.6 27.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.913 0.387 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 p -40.53 157.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.67 114.95 0.34 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.9 ptm -102.71 167.04 10.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.08 99.6 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.56 25.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.96 86.25 0.65 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -107.82 150.5 40.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 2.09 3.86 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.28 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 15' ' ' LYS . 26.9 mmmt -63.86 -47.77 79.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' LYS . 11.4 tptm -34.15 132.03 0.4 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.561 0.696 . . . . 0.0 110.913 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.54 63.36 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.738 2.292 . . . . 0.0 112.371 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -106.53 39.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.93 -76.95 0.17 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.438 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.596 ' HE3' ' CE2' ' A' ' 78' ' ' TYR . 7.2 pttp -38.09 149.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.56 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 34.2 mtp -139.84 145.87 38.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -71.23 166.66 21.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.3 p -43.28 -52.17 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.612 ' O ' HG23 ' A' ' 27' ' ' VAL . 67.9 t80 -66.33 -57.39 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.43 -42.87 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 2.3 m-85 -77.58 -61.59 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.454 ' CE1' ' SD ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -40.74 -48.5 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' TYR . 81.6 t -46.98 -38.8 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 6.6 tt0 -88.18 -41.66 12.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 m -47.28 -37.76 11.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.7 m -77.02 -48.62 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.523 HH21 HG12 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -55.09 -33.44 62.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.842 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -75.01 -52.34 11.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -50.96 -40.21 57.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LYS . 7.1 t-80 -60.91 -69.79 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' HIS . 2.3 mptm? -36.36 -32.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -73.5 -49.51 26.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 34' ' ' HIS . 52.2 mmtt -66.56 -43.98 83.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 13.8 m-70 -134.17 94.03 18.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.588 0.709 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.9 Cg_endo -69.69 -47.34 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.734 2.289 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -59.84 -38.46 82.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.57 132.47 21.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 t -100.88 99.8 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 43' ' ' VAL . 9.9 p -94.97 117.79 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 6.0 m120 -63.84 151.88 41.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -76.94 -39.3 51.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 t -72.7 -40.22 66.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 48' ' ' PHE . 9.4 pt-20 -62.14 -46.17 90.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.498 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 5.1 t80 -66.18 -32.79 74.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 t -72.37 -62.98 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -50.32 -37.11 35.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' SER . 30.1 mttp -71.69 -56.52 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' LYS . 4.8 m -36.37 -30.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' LYS . 35.8 t -65.57 -71.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.45 -22.52 65.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -80.56 -29.31 37.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.467 ' CZ2' ' HD3' ' A' ' 64' ' ' LYS . 13.5 t-105 -76.2 -40.13 52.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -66.91 -45.2 78.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.8 t -58.2 -35.33 71.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.454 ' SD ' ' CE1' ' A' ' 26' ' ' PHE . 28.1 mtp -50.43 127.87 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.5 p -65.77 165.02 13.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.41 -38.7 69.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.492 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 33.0 pttt -60.89 -38.26 85.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.492 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 6.6 mm-40 -69.08 -42.48 76.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' HD3' ' CZ2' ' A' ' 56' ' ' TRP . 79.0 mttt -72.26 -34.48 68.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -39.61 -71.57 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.441 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -43.77 -52.72 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 23.2 m-85 -52.32 -42.37 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.87 -48.15 82.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.04 -39.48 78.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.4 mtm -66.73 -55.44 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.16 -51.36 68.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 25.7 pttt -59.58 -43.84 93.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.469 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -61.81 -39.28 91.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.064 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.64 -35.05 67.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -45.25 -28.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.35 -68.38 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.449 ' HD2' ' N ' ' A' ' 78' ' ' TYR . 1.2 ppt_? -43.49 -37.39 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.596 ' CE2' ' HE3' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -48.85 -45.41 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -41.14 -31.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 81' ' ' GLU . 11.0 ptm180 -53.61 -46.38 70.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.475 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 6.4 mm-40 -49.7 -38.04 31.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.478 ' O ' ' CB ' ' A' ' 85' ' ' TYR . 30.1 tpp -36.88 -44.0 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -41.43 -51.2 3.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.2 p -62.16 -29.04 70.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 82' ' ' MET . 2.7 t80 -40.96 137.69 1.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.422 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 19.7 mt -132.1 101.85 14.84 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.659 0.742 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.41 18.97 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 170.51 16.38 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -55.61 102.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.3 159.82 23.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.82 139.17 46.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.384 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 34.5 p -146.29 155.34 42.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -90.33 155.07 19.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -106.14 143.62 34.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -110.7 177.55 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -118.74 109.21 15.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -144.13 162.44 36.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.24 110.84 4.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.731 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 100' ' ' ASN . 53.8 Cg_endo -69.76 -50.12 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.327 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 101' ' ' ALA . 59.8 m-80 -38.25 -51.49 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 100' ' ' ASN . . . -33.59 128.37 0.41 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.535 0.683 . . . . 0.0 111.09 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 130.62 19.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.314 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.502 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -75.84 -175.4 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.16 148.82 38.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.561 0.696 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.55 24.1 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.405 ' HB3' ' CD2' ' A' ' 110' ' ' PHE . 53.5 Cg_endo -69.84 142.87 48.74 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.85 165.84 12.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.51 -45.53 3.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.534 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 19.6 t80 -58.64 -42.68 88.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' A' ' 114' ' ' SER . 25.7 t80 -68.81 -45.81 70.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.99 -37.09 78.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.585 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -74.1 -56.73 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.723 ' HB2' HD13 ' A' ' 136' ' ' LEU . 4.9 p -61.43 -31.2 71.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 84.5 p -69.06 -24.15 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -95.51 -21.95 17.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.575 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.2 m-85 -89.22 -36.65 15.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.638 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 15.9 ttp180 -41.34 -52.21 7.81 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.72 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.5 Cg_endo -69.81 -19.99 35.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.316 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -81.14 -46.79 14.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 121' ' ' LYS . 11.6 pt -75.77 -44.11 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.166 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.482 ' CD ' ' HA ' ' A' ' 118' ' ' PRO . 17.0 ptmt -40.09 -37.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.446 ' N ' ' HG3' ' A' ' 121' ' ' LYS . . . -78.98 -49.66 6.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.532 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -55.64 -42.8 75.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.42 ' HB2' HD12 ' A' ' 127' ' ' LEU . 37.2 m-70 -113.42 96.97 41.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.7 Cg_endo -69.77 -18.36 37.01 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -78.07 -47.86 8.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.563 ' HB3' HG22 ' A' ' 132' ' ' VAL . 41.2 mt -48.65 116.19 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.326 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.496 ' O ' HG23 ' A' ' 132' ' ' VAL . 1.0 OUTLIER -89.07 166.5 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 128' ' ' SER . 34.6 mt -36.95 -48.1 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.33 -65.96 2.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 132' ' ' VAL . 0.9 OUTLIER -48.57 -59.26 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 127' ' ' LEU . 93.0 t -35.04 -56.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.552 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -55.95 -53.72 53.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 134' ' ' LYS . 0.9 OUTLIER -50.51 -30.68 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 138' ' ' GLU . 3.9 tppp? -68.26 -33.48 74.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.723 HD13 ' HB2' ' A' ' 113' ' ' CYS . 8.6 mt -75.84 -15.64 60.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.91 -47.76 89.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 139' ' ' MET . 2.2 pm0 -78.94 -35.38 43.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.435 ' N ' ' HG2' ' A' ' 138' ' ' GLU . 2.9 mtt -46.3 -45.32 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.585 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 2.0 t-105 -68.99 -44.95 71.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -53.87 -45.96 71.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -70.31 -40.02 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.3 m -50.55 140.0 14.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -84.95 150.07 25.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -49.17 -46.11 44.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -47.14 -52.4 15.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.54 -24.15 44.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.569 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 53.7 mttt -91.12 18.33 6.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.549 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.9 tt0 -67.34 -57.55 10.41 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.77 -33.33 16.75 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.373 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -68.17 -38.42 82.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 153' ' ' LYS . 58.3 mt-10 -78.54 -63.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 152' ' ' GLU . 43.9 mmtt -37.81 -58.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -50.87 -55.98 14.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.68 -45.41 58.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -45.69 -52.94 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -48.63 -57.8 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 159' ' ' LYS . 16.0 mt -47.19 -52.31 16.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 158' ' ' LEU . 18.8 ttpp -37.71 -54.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 164' ' ' LYS . 14.9 mm-40 -38.46 -58.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -49.04 -46.28 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.513 ' O ' HG22 ' A' ' 166' ' ' ILE . 4.9 t80 -64.68 -55.88 17.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -45.52 -41.79 10.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 167' ' ' ALA . 9.6 mmpt? -67.04 -56.38 10.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -48.81 -55.36 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 162' ' ' TYR . 8.8 tt -60.96 -40.0 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 164' ' ' LYS . . . -41.4 -43.82 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -79.53 -43.34 23.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -39.42 -58.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -74.06 -45.97 46.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -101.47 80.5 2.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -73.46 102.69 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 179.903 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -58.42 92.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.885 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -100.63 -51.91 3.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.58 114.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.427 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -141.02 121.27 13.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.862 0.363 . . . . 0.0 110.876 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -150.8 165.88 32.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.09 83.64 0.29 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.31 174.47 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.42 138.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -112.23 -44.08 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.16 92.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -38.87 152.29 0.18 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' LYS . 53.4 Cg_endo -69.83 -22.56 31.6 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' N ' ' HE3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -35.29 -64.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -46.24 108.04 0.77 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.43 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -41.09 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.557 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . -172.85 -164.21 27.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.527 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 14.4 mtmm -84.34 173.18 11.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.518 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 23.5 mtp -132.14 141.88 49.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 m -89.7 177.23 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.445 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 3.5 m -47.52 -55.42 9.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.486 ' CE2' HG21 ' A' ' 27' ' ' VAL . 48.2 t80 -60.56 -62.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 23' ' ' TYR . . . -35.44 -42.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.102 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 5.7 m-85 -77.97 -60.93 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -41.57 -49.7 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.486 HG21 ' CE2' ' A' ' 23' ' ' TYR . 81.5 t -47.08 -36.97 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.164 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -90.61 -31.51 16.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.9 m -58.97 -22.49 60.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.1 m -93.09 -34.58 13.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 2.5 ptp180 -67.2 -38.41 85.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 45.6 mt-10 -69.89 -44.69 69.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -58.14 -41.04 82.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 37' ' ' LYS . 2.9 t-80 -62.56 -60.66 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -42.27 -28.02 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -81.74 -41.04 21.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.2 mmpt? -66.68 -39.33 88.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -153.84 105.99 2.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.693 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -53.87 -42.18 68.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.834 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -38.06 102.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -81.4 49.17 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -42.98 145.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 47' ' ' GLU . 6.6 m-80 -82.89 103.59 12.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.479 ' CG ' ' N ' ' A' ' 46' ' ' SER . 8.0 p90 -48.83 -44.75 39.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 80.6 p -58.05 -39.8 79.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 44' ' ' ASN . 21.3 mm-40 -73.76 -39.88 63.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -58.42 -17.12 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 t -84.54 -63.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -27.94 35.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -73.1 -55.69 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.2 m -41.1 -32.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -60.03 -70.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.19 -17.93 65.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -82.82 -27.55 30.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.495 ' CE2' ' HE2' ' A' ' 64' ' ' LYS . 9.8 t-105 -79.09 -45.95 19.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -64.59 -45.58 86.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 59' ' ' MET . 8.7 t -55.46 -43.0 75.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.441 ' N ' HG23 ' A' ' 58' ' ' THR . 7.3 mtm -41.96 130.65 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.466 ' HB3' ' CD ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -60.33 170.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.837 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.81 -53.31 59.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.541 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -52.92 -32.85 47.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.541 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 3.7 mm-40 -71.19 -32.42 68.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 72.8 mttt -81.68 -39.24 24.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -38.02 -69.58 0.33 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -43.15 -51.44 5.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.5 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 13.8 m-85 -55.62 -40.96 72.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -59.27 -34.43 72.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -75.23 -40.32 59.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.5 mtm -64.25 -49.81 70.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.445 ' HB2' ' HA ' ' A' ' 22' ' ' SER . . . -60.56 -52.63 64.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -34.04 73.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.72 82.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -56.14 -36.96 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -43.75 -24.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 74' ' ' ASP . . . -89.02 -67.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.411 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 3.5 ppt_? -44.15 -27.39 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.557 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 22.3 t80 -67.46 -58.75 4.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -45.7 -42.54 11.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.6 tpp85 -53.92 -63.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -40.63 -47.92 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 23.7 ttm -68.56 -40.09 80.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.57 -54.77 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.7 t -74.15 -39.83 63.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.4 ' C ' HG13 ' A' ' 86' ' ' ILE . 62.6 t80 -60.53 146.68 44.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.412 HD12 ' CD ' ' A' ' 99' ' ' PRO . 27.6 mt -140.79 105.46 6.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.603 0.716 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.52 21.35 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.722 2.282 . . . . 0.0 112.31 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' LYS . 54.2 Cg_endo -69.76 179.86 3.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' PRO . 3.6 tppp? -34.7 100.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -130.14 -105.63 1.13 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.9 pm0 -105.22 170.03 8.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.945 0.403 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.7 p -84.92 130.37 34.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -156.76 158.07 36.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.509 ' HD2' ' CZ ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -55.08 163.26 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -72.69 126.29 29.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.509 ' CZ ' ' HD2' ' A' ' 94' ' ' LYS . 47.6 m-85 -109.42 -178.93 3.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -41.95 157.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -107.56 80.08 0.89 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.412 ' CD ' HD12 ' A' ' 86' ' ' ILE . 54.0 Cg_endo -69.71 -16.19 37.63 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.705 2.27 . . . . 0.0 112.386 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.51 73.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.49 ' HA ' ' CZ ' ' A' ' 169' ' ' TYR . . . -104.11 152.29 39.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.076 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 123.9 10.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.681 2.254 . . . . 0.0 112.38 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -104.39 160.28 15.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 103' ' ' LYS . 4.8 ppt_? -33.95 145.62 0.15 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.616 0.722 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.94 17.73 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 160.42 49.76 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.71 2.273 . . . . 0.0 112.316 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.3 p -102.28 166.52 10.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.52 -40.9 39.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.472 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 10.8 t80 -59.69 -45.51 91.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.91 -47.11 87.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 66.7 mt -61.05 -40.76 94.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.633 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -68.26 -55.72 11.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.754 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.4 p -63.33 -30.86 71.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -69.41 -22.76 63.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -99.22 -15.53 18.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -95.1 -36.41 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.58 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 2.6 ttm180 -46.16 -55.86 12.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.4 Cg_endo -69.77 -4.62 14.4 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 120' ' ' ILE . 5.0 ttmm -98.08 -58.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.62 ' CD1' HG13 ' A' ' 132' ' ' VAL . 22.7 pt -62.4 -36.02 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.548 ' HZ2' ' HB3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -56.89 -53.45 57.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.808 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -60.12 -48.65 85.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -61.27 -41.49 97.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.854 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.453 ' HB2' HD12 ' A' ' 127' ' ' LEU . 96.8 m-70 -115.95 94.76 42.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.708 . . . . 0.0 110.837 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.8 Cg_endo -69.79 -29.81 23.14 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.234 . . . . 0.0 112.309 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -56.05 -50.56 60.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.453 HD12 ' HB2' ' A' ' 124' ' ' HIS . 38.9 mt -51.6 -174.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 129' ' ' ILE . 8.1 t -165.5 169.36 15.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 128' ' ' SER . 53.9 mt -34.32 -41.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.29 -62.49 3.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 132' ' ' VAL . 0.8 OUTLIER -60.06 -59.36 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.843 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.62 HG13 ' CD1' ' A' ' 120' ' ' ILE . 96.7 t -34.61 -54.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.52 -59.77 3.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.054 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -35.14 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -61.38 -39.65 91.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.754 HD13 ' HB2' ' A' ' 113' ' ' CYS . 25.9 mt -82.47 -24.32 34.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.59 -41.26 99.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 139' ' ' MET . 6.8 pt-20 -85.76 -35.43 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.444 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 52.7 mtp -52.11 -58.72 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.633 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 8.6 t-105 -52.93 -46.03 67.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -52.84 -41.77 64.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -97.6 40.49 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.436 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 26.2 m -114.43 138.76 50.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.4 161.83 25.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.73 84.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.65 -51.88 58.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.436 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 29.7 t0 -57.66 -19.14 24.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.473 ' NZ ' ' CE2' ' A' ' 140' ' ' TRP . 53.7 mttm -98.87 15.93 23.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.536 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.0 tt0 -64.0 -58.15 15.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.565 0.697 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.78 -37.2 9.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 47.1 m-85 -65.7 -38.61 89.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -77.88 -64.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -38.67 -57.76 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -52.1 -53.45 42.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -44.61 -47.44 10.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -47.99 -45.78 32.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -60.97 -47.81 84.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 17.8 mt -49.57 -44.25 46.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -42.92 -55.87 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.77 -46.86 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -58.17 -32.59 68.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.486 ' O ' HG22 ' A' ' 166' ' ' ILE . 2.1 t80 -71.83 -53.61 12.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -57.0 -32.25 65.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -75.13 -50.18 17.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -54.7 -49.72 70.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 162' ' ' TYR . 5.8 tt -64.89 -37.08 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -47.32 -46.33 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 169' ' ' TYR . . . -86.87 -36.57 18.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.49 ' CZ ' ' HA ' ' A' ' 101' ' ' ALA . 72.7 t80 -37.08 -56.28 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -77.83 -42.68 32.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -80.46 50.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -53.34 -49.53 66.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 179.928 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 42.0 mtp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.763 0.315 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.6 p -95.33 -174.8 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 p -51.1 -55.66 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.48 ' CE2' HG21 ' A' ' 27' ' ' VAL . 43.8 t80 -59.19 -63.42 1.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.956 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -38.0 -33.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 5.3 m-85 -87.46 -39.36 15.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -61.72 -46.81 88.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.48 HG21 ' CE2' ' A' ' 23' ' ' TYR . 58.3 t -53.86 -32.62 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -92.34 -14.16 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.5 m -79.61 -24.95 41.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.1 m -88.63 -39.12 14.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -65.31 -41.49 93.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.83 -42.53 90.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.6 -31.51 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LYS . 16.7 t60 -63.5 -55.5 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -39.4 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' HIS . 13.2 mmtp -81.95 -41.37 20.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' HIS . 23.9 mtmt -71.63 -44.73 63.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.767 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 42.5 m-70 -134.62 94.81 16.55 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.58 0.705 . . . . 0.0 110.816 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.6 Cg_endo -69.82 -50.77 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.303 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -90.62 31.72 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.767 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . . . -83.38 138.24 33.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.2 m -89.07 52.27 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 p -73.75 138.24 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -97.06 149.78 21.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -69.5 -43.2 73.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -65.35 -52.49 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -56.53 -34.47 67.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -77.32 -19.34 56.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.9 t -76.59 -67.75 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.797 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -47.47 -30.35 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -68.47 -53.04 26.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.472 ' SG ' HG13 ' A' ' 27' ' ' VAL . 57.7 m -49.7 -33.57 16.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -60.83 -71.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.442 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 11.9 pt-20 -63.99 -21.45 66.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.1 ttm-85 -78.79 -27.32 44.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.489 ' CE2' ' HE2' ' A' ' 64' ' ' LYS . 18.2 t-105 -79.04 -39.44 33.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 12.3 ptmm? -68.39 -48.3 65.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 59' ' ' MET . 11.7 t -55.25 -40.99 71.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.429 ' N ' HG23 ' A' ' 58' ' ' THR . 6.5 mtm -44.95 125.23 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.3 m -61.67 155.72 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.61 -46.94 10.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -52.84 -44.84 67.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.26 -41.98 97.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.489 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 68.0 mttt -68.44 -36.01 78.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -38.81 -70.5 0.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HE2' ' CE2' ' A' ' 67' ' ' PHE . 18.3 pttm -46.21 -48.23 17.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.4 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 34.3 m-85 -58.89 -27.77 65.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.66 -45.22 17.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -64.99 -35.11 80.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.9 ptp -75.31 -31.45 60.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.17 -46.22 61.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 20.9 pttt -60.29 -35.99 76.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.476 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -57.1 -30.84 64.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.07 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.551 ' HB3' ' CD2' ' A' ' 110' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.762 0.234 . . . . 0.0 112.35 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.9 m -119.98 173.3 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.99 -50.0 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.536 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 10.0 t80 -57.4 -43.66 83.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.551 ' CD2' ' HB3' ' A' ' 106' ' ' PRO . 45.1 t80 -66.92 -38.31 85.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.9 mt -67.71 -35.66 79.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.671 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 1.5 t80 -75.28 -55.72 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.714 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.7 p -60.54 -30.35 69.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 25.7 t -74.95 -38.8 61.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -78.97 -16.72 56.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -98.07 -25.17 15.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.636 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 16.7 ttp180 -52.28 -52.03 66.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.3 Cg_endo -69.76 -7.13 20.27 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -94.88 -51.5 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 25.3 pt -76.87 -35.45 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -54.8 -43.87 73.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -70.02 -39.06 74.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.494 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.84 -35.13 74.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -119.42 92.72 46.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.27 6.74 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -47.27 -45.63 21.46 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 131' ' ' ASP . 38.0 mt -56.94 178.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 129' ' ' ILE . 59.2 m -144.87 155.87 43.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' SER . 40.9 mt -34.16 -44.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.28 -64.58 3.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 132' ' ' VAL . 4.6 m-20 -54.82 -58.85 5.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 131' ' ' ASP . 91.3 t -34.61 -52.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.497 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -64.59 -48.7 73.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -56.26 -21.98 27.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -79.53 -30.44 41.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' ' 113' ' ' CYS . 11.6 mt -76.93 -19.33 57.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -54.67 -35.76 58.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -89.7 -37.06 14.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.63 ' SD ' HD23 ' A' ' 136' ' ' LEU . 92.0 mtp -51.08 -44.6 61.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.671 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 16.4 t-105 -64.26 -49.19 72.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -49.97 -42.04 47.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -72.63 -40.24 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 147' ' ' ASP . 94.9 m -42.61 138.35 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.95 146.44 37.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -49.54 -47.18 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.67 -45.88 58.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.409 ' HB2' ' CG2' ' A' ' 143' ' ' THR . 2.9 m-20 -59.54 -21.42 60.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.559 ' HG2' ' CZ2' ' A' ' 140' ' ' TRP . 77.2 mttt -91.52 7.61 40.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.52 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 1.6 tt0 -54.0 -58.89 11.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.75 -44.51 2.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.719 2.28 . . . . 0.0 112.364 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -57.97 -26.9 62.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -90.88 -62.25 1.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -40.82 -53.06 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -54.82 -56.67 16.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -44.98 -49.32 11.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -41.35 -53.04 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -50.69 -51.08 52.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 82.2 mt -53.54 -50.08 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -38.99 -47.81 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -41.25 -55.74 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -47.2 -43.93 21.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.616 ' HE3' ' CD1' ' A' ' 25' ' ' PHE . 19.1 mtm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.778 0.323 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.0 m -81.72 172.6 13.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.4 m -48.65 -58.57 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.553 ' O ' HG23 ' A' ' 27' ' ' VAL . 70.5 t80 -60.67 -56.98 14.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.18 -40.96 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CD1' ' HE3' ' A' ' 20' ' ' MET . 4.9 m-85 -77.08 -57.05 4.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.3 OUTLIER -46.5 -31.17 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 23' ' ' TYR . 62.5 t -66.08 -35.76 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -92.34 -24.79 18.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.1 m -65.93 -48.04 72.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.3 m -67.84 -52.42 37.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.58 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -51.98 -41.03 61.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.37 -55.79 10.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.42 -29.82 17.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 37' ' ' LYS . 70.2 t60 -64.22 -66.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 34' ' ' HIS . 1.7 mptp? -34.73 -34.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' HIS . 3.8 mmmm -75.94 -47.78 23.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 34' ' ' HIS . 21.9 mtmm -63.7 -42.96 97.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -134.57 94.49 17.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.713 . . . . 0.0 110.839 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.285 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.78 -40.42 79.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.57 117.44 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 m -102.93 83.49 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.7 p -73.69 136.1 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -74.66 157.78 34.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -74.52 -45.47 45.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.1 t -61.55 -46.62 89.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -60.37 -39.7 88.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 31' ' ' ARG . 8.6 t80 -67.39 -36.08 80.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.1 t -65.01 -64.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -46.77 -30.89 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -76.57 -53.53 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.0 m -44.27 -30.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.0 t -60.13 -71.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -70.44 -13.96 62.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -86.34 -22.62 26.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 12.8 t-105 -82.46 -46.79 13.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -64.42 -42.89 95.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.507 HG23 ' N ' ' A' ' 59' ' ' MET . 10.2 t -57.16 -46.43 82.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.507 ' N ' HG23 ' A' ' 58' ' ' THR . 11.1 mtm -39.04 135.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 t -66.92 162.87 20.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.75 -44.68 58.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -54.68 -52.05 63.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.08 -48.02 71.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 84.9 mttt -64.96 -38.35 90.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -36.93 -74.6 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -42.73 -44.96 4.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 29.7 m-85 -61.14 -36.89 80.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.45 -49.52 63.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -63.79 -62.52 1.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 18.8 ptp -48.33 -42.51 31.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.456 ' N ' ' HG3' ' A' ' 70' ' ' MET . . . -57.35 -45.07 84.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -67.97 -60.88 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.13 -37.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.775 0.239 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' ALA . 19.4 m -116.2 170.3 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 151' ' ' TYR . . . -36.99 -56.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.524 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 18.7 t80 -50.22 -66.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -45.29 -44.45 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.6 mt -55.65 -53.36 57.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.562 ' HB2' ' CE2' ' A' ' 151' ' ' TYR . 1.3 t80 -61.92 -59.91 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.699 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.2 p -51.43 -36.42 43.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.0 t -71.59 -25.93 62.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.445 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.1 OUTLIER -86.24 -20.17 28.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.86 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -99.98 -23.12 15.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.638 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 8.3 ttp180 -49.81 -51.91 56.32 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 110.812 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.4 Cg_endo -69.76 -12.94 33.91 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.68 2.253 . . . . 0.0 112.294 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -90.63 -39.75 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 121' ' ' LYS . 13.9 pt -87.41 -47.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.475 ' N ' HG13 ' A' ' 120' ' ' ILE . 0.2 OUTLIER -48.05 -46.5 33.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.841 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -63.62 -38.45 96.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -68.64 -39.87 80.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.706 ' HB2' HD12 ' A' ' 127' ' ' LEU . 72.5 m-70 -110.4 92.92 14.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -2.29 9.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -96.25 -37.51 4.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.706 HD12 ' HB2' ' A' ' 124' ' ' HIS . 20.3 mt -60.23 126.75 28.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 129' ' ' ILE . 5.2 t -103.8 167.28 9.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 128' ' ' SER . 62.2 mt -34.32 -45.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.93 -65.86 2.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.5 ' HB3' HD23 ' A' ' 127' ' ' LEU . 1.3 m-20 -54.13 -57.41 11.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.436 ' CG2' ' HB3' ' A' ' 127' ' ' LEU . 75.6 t -39.29 -41.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.61 -52.85 63.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.71 -30.94 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -67.25 -30.28 70.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.699 HD13 ' HB2' ' A' ' 113' ' ' CYS . 9.0 mt -83.69 -41.64 17.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -48.49 -47.66 28.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -71.53 -47.51 54.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 7.9 mtm -48.01 -45.32 31.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.524 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 2.0 t-105 -65.57 -39.97 92.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -66.72 -25.33 66.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -107.93 36.45 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 12.8 m -119.22 129.48 54.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.28 142.2 58.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.95 -27.6 19.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.36 -48.03 81.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -10.76 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 149' ' ' GLN . 58.1 mttt -100.2 -23.8 14.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.515 ' HG3' ' CD ' ' A' ' 153' ' ' LYS . 4.7 tt0 -32.15 -58.81 0.4 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.71 -44.91 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.591 ' HB3' ' HB1' ' A' ' 108' ' ' ALA . 10.5 m-85 -53.15 -35.7 60.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -87.0 -63.96 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.515 ' CD ' ' HG3' ' A' ' 149' ' ' GLN . 4.8 mtpm? -43.96 -40.22 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -70.72 -49.56 45.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.33 -40.05 47.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -51.29 -44.23 61.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -58.64 -51.22 70.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.5 mt -47.84 -44.39 29.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.98 -38.91 39.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -50.13 -41.82 49.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -64.08 -21.63 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 40.3 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.956 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.683 ' CE ' ' CE1' ' A' ' 25' ' ' PHE . 6.2 mtm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -84.93 165.62 17.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.9 p -47.88 -40.0 20.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.69 ' O ' HG23 ' A' ' 27' ' ' VAL . 69.7 t80 -69.24 -54.81 12.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.49 -35.75 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.07 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.683 ' CE1' ' CE ' ' A' ' 20' ' ' MET . 5.8 m-85 -85.04 -43.71 13.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.56 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -56.38 -25.24 48.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 23' ' ' TYR . 47.2 t -82.3 -34.28 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 27.9 tt0 -70.31 -33.52 71.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.69 -33.28 53.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 m -77.19 -34.7 56.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 7.5 ptp180 -68.61 -36.03 78.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 4.2 pt-20 -75.44 -49.53 18.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 40.0 mm-40 -44.9 -36.33 3.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -67.59 -60.51 2.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -42.91 -24.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -78.41 -46.97 18.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -65.94 -44.86 83.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 18.1 m-70 -129.45 94.32 33.08 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.832 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 54.1 Cg_endo -69.7 -44.13 2.3 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.79 -36.84 83.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.93 125.75 27.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.0 t -111.12 103.54 11.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.7 p -83.21 142.47 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -78.16 168.98 19.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -81.17 -54.79 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.7 m -57.3 -44.47 84.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -64.63 -35.7 81.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' A' ' 31' ' ' ARG . 18.1 t80 -80.78 -26.51 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.5 t -71.62 -45.5 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -60.49 -27.0 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -77.52 -58.7 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.6 m -50.36 -27.12 5.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.2 m -65.64 -72.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 58' ' ' THR . 22.3 mt-10 -63.67 -15.72 59.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.411 ' HA ' HG22 ' A' ' 58' ' ' THR . 11.3 ttm-85 -87.76 -23.12 24.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.503 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 18.0 t-105 -82.74 -39.82 21.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -71.85 -33.73 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 54' ' ' GLU . 9.9 t -75.76 -7.38 54.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.442 ' HE2' ' CE3' ' A' ' 56' ' ' TRP . 8.0 mtp -79.18 126.64 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.8 m -63.19 156.49 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.19 -27.05 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -66.78 -52.53 43.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -57.84 -31.38 66.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.462 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 59.9 mttt -84.87 -31.47 23.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -41.98 -58.17 3.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.509 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -52.71 -51.8 58.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.325 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 41.0 m-85 -55.09 -41.72 71.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.38 -42.96 78.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -65.46 -49.91 67.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.8 mtm -59.63 -60.07 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -42.72 -46.17 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -58.24 -49.35 77.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.48 -37.98 18.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.788 0.245 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.1 p -125.98 168.08 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.41 -45.02 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.558 ' CZ ' ' SG ' ' A' ' 113' ' ' CYS . 11.6 t80 -59.58 -62.83 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -44.84 -40.12 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.03 -66.14 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.587 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -49.82 -50.09 46.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.632 ' HA ' HD22 ' A' ' 136' ' ' LEU . 58.5 m -56.03 -52.61 63.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.2 t -67.1 -8.01 27.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -102.07 -26.29 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -98.69 -18.83 17.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.647 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 10.3 ttp180 -53.98 -52.11 71.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.607 0.718 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.74 -14.74 36.57 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.733 2.289 . . . . 0.0 112.358 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -87.63 -38.47 15.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.504 HD11 HG13 ' A' ' 132' ' ' VAL . 23.6 pt -85.91 -37.44 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.443 ' CD ' ' HA ' ' A' ' 118' ' ' PRO . 15.9 ptmt -44.5 -32.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -85.09 -27.86 32.67 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -73.97 -50.62 19.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.779 ' HB2' HD12 ' A' ' 127' ' ' LEU . 28.4 m-70 -111.9 89.24 11.13 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.539 0.685 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -39.34 6.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.325 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -49.32 -40.75 30.75 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 124' ' ' HIS . 32.8 mt -58.08 -175.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 129' ' ' ILE . 1.4 t -160.05 160.69 33.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 128' ' ' SER . 75.4 mt -35.61 -36.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.61 -53.4 20.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.478 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.443 ' HB3' HD22 ' A' ' 127' ' ' LEU . 10.3 m-20 -71.15 -56.82 5.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.504 HG13 HD11 ' A' ' 120' ' ' ILE . 18.8 t -37.32 -54.82 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.428 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -45.81 -48.22 15.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -60.95 -27.58 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -72.91 -30.58 64.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.632 HD22 ' HA ' ' A' ' 113' ' ' CYS . 13.3 mt -77.89 -19.74 54.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.28 -62.4 4.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 138' ' ' GLU . 6.4 pm0 -64.99 -39.08 92.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 31.0 mmm -48.82 -30.7 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.587 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 4.9 t-105 -79.74 -41.23 27.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -62.98 -33.63 75.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -80.5 -39.53 27.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 22.9 m -45.13 140.79 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.12 151.11 31.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.83 -38.27 75.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.07 -33.58 70.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.54 -17.38 60.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.4 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 66.7 mttt -95.62 11.22 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.519 ' HG3' ' CD ' ' A' ' 153' ' ' LYS . 5.6 tt0 -55.6 -59.49 11.17 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.2 Cg_endo -69.72 -36.66 10.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.736 2.291 . . . . 0.0 112.375 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.485 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 58.3 m-85 -64.04 -42.82 96.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -79.03 -45.47 20.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.519 ' CD ' ' HG3' ' A' ' 149' ' ' GLN . 5.4 mtpm? -61.05 -51.3 69.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -57.62 -53.44 58.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -47.38 -35.7 8.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -57.41 -34.12 68.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -66.77 -52.63 41.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.1 mt -45.42 -50.26 12.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -41.47 -37.41 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -64.43 -50.4 67.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -54.2 -21.31 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 56.4 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.447 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 26.1 mtp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.769 0.319 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.1 m -87.87 174.44 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.7 m -43.89 -58.8 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.649 ' CE2' HG21 ' A' ' 27' ' ' VAL . 35.3 t80 -57.86 -63.1 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' TYR . . . -33.82 -38.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.066 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 5.5 m-85 -83.0 -54.22 5.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.544 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -47.04 -43.71 20.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.649 HG21 ' CE2' ' A' ' 23' ' ' TYR . 53.4 t -58.41 -28.2 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.467 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 6.1 tt0 -92.33 -28.48 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.3 m -68.69 -38.9 80.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.452 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 77.1 m -76.49 -51.74 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' NE ' ' HA ' ' A' ' 28' ' ' GLN . 4.7 ptp180 -47.77 -41.04 22.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.39 -38.09 89.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -56.43 -39.4 73.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -68.35 -57.93 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -44.29 -29.04 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -78.67 -45.81 20.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -64.97 -43.73 91.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 15.8 m-70 -134.55 94.4 17.24 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.547 0.689 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.2 Cg_endo -69.77 -35.73 12.08 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.74 2.293 . . . . 0.0 112.344 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -71.04 -37.19 72.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.34 119.08 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -90.59 99.36 12.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.406 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 11.8 p -101.45 135.95 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -83.72 169.46 15.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -90.96 -45.43 8.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -67.65 -23.1 65.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.567 ' CD ' ' N ' ' A' ' 48' ' ' PHE . 1.7 pp20? -83.37 -45.45 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.567 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 23.0 t80 -63.3 -20.32 65.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.0 t -65.76 -47.74 74.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -57.55 -20.73 33.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -86.56 -50.01 7.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.545 ' SG ' HG13 ' A' ' 27' ' ' VAL . 54.2 m -55.63 -35.17 65.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -71.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.483 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 14.4 pt-20 -59.05 -19.62 45.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -81.46 -23.95 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.497 ' CE2' ' HE2' ' A' ' 64' ' ' LYS . 70.4 t-105 -86.55 -30.85 21.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 6.2 ptmm? -76.6 -29.76 56.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.0 t -76.24 -35.32 59.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.6 mtm -61.9 146.34 50.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -103.81 179.08 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.55 -25.84 11.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.168 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -60.99 -42.17 97.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -87.85 -53.11 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.497 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 68.9 mttt -52.13 -36.51 51.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.96 -73.62 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -46.92 -37.62 9.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.328 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 25.3 m-85 -68.01 -30.44 69.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -72.32 -50.5 26.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -62.35 -51.7 66.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 ptp -54.87 -37.02 65.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.82 -34.53 78.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -73.88 -30.43 62.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.52 91.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.805 0.252 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.1 p -94.9 159.21 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.69 -32.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.457 ' HB2' ' NE1' ' A' ' 140' ' ' TRP . 16.1 t80 -67.21 -49.17 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -59.47 -22.12 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 88.8 mt -82.15 -48.57 11.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.606 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -68.82 -48.65 63.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.421 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.7 p -61.78 -29.34 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.8 t -82.61 -12.99 57.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -97.11 -35.92 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.442 ' CD2' ' HD3' ' A' ' 119' ' ' LYS . 3.0 m-85 -83.73 -25.44 30.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.648 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 3.2 ttm180 -40.0 -52.11 5.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.589 0.709 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.9 Cg_endo -69.74 -36.12 11.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.442 ' HD3' ' CD2' ' A' ' 116' ' ' TYR . 8.1 ptmt -72.05 -23.64 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.61 HD13 HD21 ' A' ' 136' ' ' LEU . 36.4 pt -95.89 -37.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 120' ' ' ILE . 1.1 tmmt? -53.02 -43.92 66.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -71.91 -47.67 30.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.447 ' OE1' ' CA ' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -55.04 -42.74 73.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.731 ' HB2' HD12 ' A' ' 127' ' ' LEU . 86.2 m-70 -116.34 93.14 38.75 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.578 0.704 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.3 Cg_endo -69.79 -21.54 33.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.316 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.42 -43.02 21.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.731 HD12 ' HB2' ' A' ' 124' ' ' HIS . 92.1 mt -51.34 126.05 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 129' ' ' ILE . 98.1 p -98.22 163.3 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' SER . 30.6 mt -35.16 -36.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -74.4 -57.69 4.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 0.6 OUTLIER -63.07 -53.68 49.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 131' ' ' ASP . 92.9 t -34.22 -52.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.4 -47.17 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 131' ' ' ASP . 11.7 tptm -53.71 -24.04 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.27 -39.98 64.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.61 HD21 HD13 ' A' ' 120' ' ' ILE . 4.5 mt -78.41 -24.56 46.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.79 -53.27 42.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.44 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.65 -47.8 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 90.7 mtp -49.4 -50.73 39.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.606 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 24.3 t-105 -59.02 -29.8 67.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -82.78 -25.52 32.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -106.62 29.15 7.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.413 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 3.8 m -114.99 133.28 56.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.4 155.23 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.99 -26.85 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.45 -40.19 90.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.413 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 5.1 t70 -69.87 -18.09 63.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -93.61 5.93 49.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.509 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.9 tt0 -51.83 -59.33 8.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.585 0.707 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.9 Cg_endo -69.74 -36.8 10.19 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 30.5 m-85 -66.17 -32.98 74.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.65 -53.82 4.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -47.43 -53.05 15.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -55.21 -53.52 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -45.67 -55.36 6.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -41.21 -56.56 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -47.94 -58.65 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 19.7 mt -46.43 -50.3 16.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -41.6 -54.43 3.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -49.29 -59.28 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -46.04 -44.91 15.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.547 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 29.8 mtp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.5 m -100.27 -174.76 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 p -59.05 -44.16 91.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.418 ' O ' HG23 ' A' ' 27' ' ' VAL . 79.9 t80 -68.39 -62.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -40.04 -39.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.059 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.547 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 5.1 m-85 -81.69 -52.46 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -47.67 -28.36 2.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 23' ' ' TYR . 98.2 t -75.92 -32.95 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -92.32 -13.77 29.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.5 m -82.56 -38.2 24.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.4 m -76.45 -28.49 56.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -73.67 -40.65 63.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 4.3 pt-20 -66.97 -49.4 65.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 16.4 mm-40 -52.22 -35.34 49.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -68.5 -60.39 2.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.99 -23.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -80.95 -45.34 16.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.8 -45.54 82.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -134.61 94.84 16.54 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.553 0.692 . . . . 0.0 110.838 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -43.94 2.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -61.19 -32.06 71.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.66 122.27 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.5 p -104.07 94.42 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 44' ' ' ASN . 2.0 p -83.09 155.54 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.439 ' N ' ' CG2' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -96.69 154.83 17.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -80.7 -57.22 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -44.8 -41.65 7.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -75.3 -47.98 25.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -65.33 -14.2 60.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 t -86.95 -66.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HG3' ' CE ' ' A' ' 51' ' ' LYS . 9.7 ptmt -43.84 -36.9 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.476 ' CE ' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.38 -54.76 17.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.41 ' HB3' HG22 ' A' ' 27' ' ' VAL . 9.3 m -41.56 -29.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.8 t -67.35 -71.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -63.97 -15.07 58.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -89.58 -23.72 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.578 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 21.3 t-105 -83.46 -40.19 19.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -67.97 -38.33 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 t -68.47 -24.73 64.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.573 ' SD ' ' CE1' ' A' ' 26' ' ' PHE . 15.3 mtp -61.39 120.53 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.97 157.73 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.53 -41.84 31.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 10.5 ptpp? -54.47 -40.74 68.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 30.3 mm-40 -67.71 -37.88 82.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.52 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 82.9 mttt -78.62 -24.81 45.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.23 -59.68 8.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -51.85 -50.26 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 36.9 m-85 -54.32 -38.19 65.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.96 -32.24 72.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.88 -56.36 4.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.497 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 4.7 mtm -53.87 -50.05 67.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.08 -51.34 62.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -53.3 -31.73 45.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 70' ' ' MET . . . -58.45 -34.48 70.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.23 0.122 0 CA-C-O 120.784 0.243 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 108' ' ' ALA . 77.5 p -135.77 153.82 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -35.67 -43.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.464 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 2.0 t80 -66.94 -47.62 71.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.421 ' O ' ' CB ' ' A' ' 114' ' ' SER . 11.1 t80 -61.5 -43.11 99.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.66 -50.18 70.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.653 ' CG ' ' CE3' ' A' ' 140' ' ' TRP . 0.6 OUTLIER -62.16 -48.26 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.7 p -68.26 -32.58 72.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 42.2 t -75.62 -14.77 60.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -101.64 -26.02 13.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -91.83 -10.62 39.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.643 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 9.9 ttm180 -62.53 -51.79 70.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.634 0.73 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.83 -7.85 22.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.302 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -93.21 -36.69 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.2 pt -92.3 -40.39 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -51.84 -32.39 31.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -79.89 -38.46 19.57 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.15 -47.89 72.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -107.1 90.45 5.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -17.59 37.43 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -70.89 -47.36 39.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 131' ' ' ASP . 36.7 mt -50.69 -178.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.7 t -152.92 172.97 15.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.0 mt -50.13 -36.53 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -69.12 -51.18 29.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.499 ' HB3' HD22 ' A' ' 127' ' ' LEU . 9.6 m-20 -71.38 -60.43 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' ASP . 52.6 t -34.25 -49.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.742 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -50.78 -48.06 59.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 131' ' ' ASP . 0.6 OUTLIER -60.5 -32.77 71.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -69.27 -25.52 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 133' ' ' ALA . 10.4 mt -79.36 -21.48 45.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.66 -62.8 5.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 138' ' ' GLU . 13.3 pm0 -66.27 -34.76 78.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 64.9 mmm -55.18 -48.75 73.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.653 ' CE3' ' CG ' ' A' ' 112' ' ' PHE . 31.0 t-105 -66.62 -33.3 75.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -75.72 -27.74 58.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -86.61 -36.83 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 53.7 m -37.8 149.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.94 134.7 38.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.111 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -45.51 -36.65 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -61.58 -37.15 82.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.28 -15.06 62.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 149' ' ' GLN . 44.7 mttp -94.72 -22.35 18.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.521 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.5 tt0 -33.94 -58.58 0.58 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.61 0.719 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.0 Cg_endo -69.79 -44.75 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 15.3 m-85 -55.57 -23.39 26.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -93.84 -57.85 2.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -48.64 -43.52 36.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -66.5 -66.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -40.03 -44.64 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -48.87 -59.93 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -41.61 -53.53 3.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 29.7 mt -62.64 -39.11 92.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -60.04 -41.98 93.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -55.34 -49.78 71.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -54.15 -39.48 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 40.4 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.424 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 21.0 mtp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.796 0.331 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -105.32 161.85 13.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -40.7 -55.76 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.758 ' CE2' HG21 ' A' ' 27' ' ' VAL . 50.6 t80 -56.52 -60.32 3.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' TYR . . . -35.49 -40.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.495 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 9.1 m-85 -82.48 -57.52 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.547 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -42.84 -31.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.758 HG21 ' CE2' ' A' ' 23' ' ' TYR . 46.6 t -81.79 -31.34 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' PHE . 3.6 pt20 -79.62 -28.45 40.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -76.22 -58.22 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 54.8 m -54.64 -45.92 73.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.539 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 19.6 ptt180 -56.68 -42.87 79.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 22.8 mt-10 -65.11 -45.33 85.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -56.42 -36.62 69.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.559 ' CD2' HG11 ' A' ' 43' ' ' VAL . 8.6 t60 -61.39 -67.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -39.29 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 34' ' ' HIS . 24.5 mmtt -82.16 -41.62 20.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 34' ' ' HIS . 23.2 mmtp -68.45 -43.32 77.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 44.1 m-70 -130.0 95.02 29.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.82 -42.53 3.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -62.01 -40.02 94.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.65 115.01 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 t -89.94 42.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.559 HG11 ' CD2' ' A' ' 34' ' ' HIS . 7.2 p -51.17 136.84 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -81.3 154.09 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' A' ' 46' ' ' SER . 28.8 p90 -79.88 -53.04 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.556 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 3.2 m -52.5 -53.0 51.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.06 -47.63 83.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 31' ' ' ARG . 89.6 t80 -39.96 -31.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' LYS . 23.2 t -61.29 -45.1 95.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -39.06 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' SER . 80.1 mttt -87.5 -54.83 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.409 ' HB3' HG22 ' A' ' 27' ' ' VAL . 3.8 m -47.22 -32.56 4.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.2 p -61.2 -70.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -67.15 -17.63 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -84.34 -26.66 28.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.516 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 35.0 t-105 -78.3 -38.57 42.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -68.98 -39.74 79.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 t -65.73 -40.7 92.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.6 mtm -49.04 124.8 9.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -62.88 164.5 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.29 -45.41 34.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.084 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -54.11 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -47.38 -37.68 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.516 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 69.2 mttt -72.96 -36.19 67.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -43.81 -56.87 4.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -55.03 -36.14 65.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.547 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 56.0 m-85 -80.32 -21.11 42.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -85.81 -32.68 21.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.51 -33.27 36.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.0 ptp -76.86 -32.22 57.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 25' ' ' PHE . . . -71.08 -41.15 71.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 2.7 ptmm? -63.63 -33.0 74.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.49 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -53.08 -20.61 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.2 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.857 0.274 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 t -120.48 168.01 11.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 151' ' ' TYR . . . -49.91 -30.87 11.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.463 ' HB2' ' NE1' ' A' ' 140' ' ' TRP . 5.4 t80 -63.9 -53.76 45.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -54.29 -48.51 71.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.5 mt -54.86 -66.0 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.532 ' HA ' ' CE1' ' A' ' 151' ' ' TYR . 1.1 t80 -44.99 -55.01 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.807 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.8 p -60.76 -29.58 69.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.9 t -82.0 -12.9 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -101.62 -22.25 14.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -95.82 -19.52 19.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.638 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 11.1 ttp180 -52.57 -51.89 68.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.4 Cg_endo -69.71 -3.68 12.46 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.368 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -102.15 -35.54 8.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.915 HD11 HG13 ' A' ' 132' ' ' VAL . 44.4 pt -92.54 -34.87 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.445 ' N ' HG13 ' A' ' 120' ' ' ILE . 1.1 tmmt? -62.63 -49.93 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -65.19 -37.92 94.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -70.99 -45.66 63.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.633 ' CB ' HD12 ' A' ' 127' ' ' LEU . 44.3 m-70 -105.15 96.13 10.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -29.34 23.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.236 . . . . 0.0 112.346 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.25 -34.98 90.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.633 HD12 ' CB ' ' A' ' 124' ' ' HIS . 13.7 mt -78.12 158.92 28.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 129' ' ' ILE . 39.6 m -149.64 171.77 16.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' SER . 88.2 mt -35.71 -37.49 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.92 -57.78 10.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 132' ' ' VAL . 34.4 m-20 -71.13 -59.64 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.804 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.915 HG13 HD11 ' A' ' 120' ' ' ILE . 54.3 t -33.76 -50.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -42.24 -64.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -52.39 -30.48 29.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.632 ' HE2' HD13 ' A' ' 127' ' ' LEU . 5.9 ttpp -67.56 -35.34 78.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.807 HD13 ' HB2' ' A' ' 113' ' ' CYS . 16.6 mt -81.28 -23.51 37.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.25 -44.35 95.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 139' ' ' MET . 7.1 pt-20 -74.75 -41.62 59.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.445 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 28.6 mtp -50.53 -61.24 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.463 ' NE1' ' HB2' ' A' ' 109' ' ' PHE . 6.4 t-105 -50.07 -34.88 23.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -76.91 -24.08 52.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -110.73 26.9 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 24.3 m -106.41 135.61 47.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -68.73 135.49 51.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -46.44 -40.91 13.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -55.02 -36.13 65.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.59 -13.2 61.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -99.24 1.48 44.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.511 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.9 tt0 -50.95 -58.68 9.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.9 Cg_endo -69.76 -17.96 37.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.626 2.217 . . . . 0.0 112.349 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.532 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 38.2 m-85 -89.41 -22.0 22.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -93.43 -52.29 4.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -55.23 -47.61 75.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -57.12 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -41.69 -48.07 4.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -44.76 -40.47 6.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -65.19 -50.31 66.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 17.7 mt -47.51 -45.04 26.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.964 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -42.03 -39.59 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -51.2 -41.45 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -60.59 -45.85 92.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 32.6 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.597 ' HE3' ' CD1' ' A' ' 25' ' ' PHE . 10.0 mtm . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.774 0.321 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.7 p -101.26 178.86 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.8 p -48.88 -54.04 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -62.67 -62.08 1.98 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.555 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -39.23 -39.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CD1' ' HE3' ' A' ' 20' ' ' MET . 8.8 m-85 -78.99 -56.43 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.551 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -45.47 -29.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.36 -35.58 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -89.01 -23.26 22.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.7 m -74.26 -40.96 62.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.551 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 90.7 m -71.75 -53.68 12.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 10.0 ptm180 -44.24 -40.87 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 11.4 mt-10 -65.78 -49.52 68.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -50.99 -36.44 39.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 37' ' ' LYS . 2.3 t-160 -60.9 -67.59 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.462 ' HE3' ' CD2' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -36.96 -29.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 34' ' ' HIS . 2.0 mmmm -78.99 -44.74 21.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 34' ' ' HIS . 18.3 mmtp -68.7 -45.09 72.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.853 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 49.0 m-70 -133.32 93.54 21.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.75 -49.42 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.272 . . . . 0.0 112.329 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -85.6 21.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.853 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . . . -87.79 120.45 29.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.3 p -71.79 85.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -105.03 142.26 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -95.53 -176.92 3.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -103.44 -48.66 3.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -64.19 -36.61 84.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.566 ' CD ' ' N ' ' A' ' 48' ' ' PHE . 2.1 pp20? -65.62 -45.67 82.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 16.2 t80 -62.05 -33.77 75.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 51' ' ' LYS . 1.6 m -78.46 -61.61 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -42.91 -23.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.3 ttmt -92.72 -41.81 9.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -47.81 -25.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.7 p -68.58 -67.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -69.25 -15.79 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' C ' HG22 ' A' ' 58' ' ' THR . 20.7 ttt85 -87.23 -23.69 24.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.532 ' CZ2' ' HD3' ' A' ' 64' ' ' LYS . 16.0 t-105 -83.59 -41.73 17.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -68.16 -33.4 74.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.416 HG22 ' C ' ' A' ' 55' ' ' ARG . 9.8 t -68.86 -29.15 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.4 mtm -59.4 123.21 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.9 m -59.38 152.46 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.96 -38.36 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -58.15 -42.0 84.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -66.63 -47.05 73.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.532 ' HD3' ' CZ2' ' A' ' 56' ' ' TRP . 77.3 mttt -63.31 -26.94 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' GLU . . . -41.34 -72.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -43.74 -43.97 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 49.3 m-85 -65.85 -30.4 71.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' GLY . 7.7 mm-40 -74.41 -40.03 62.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.13 -56.89 4.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 8.4 ptp -49.24 -43.8 43.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 70' ' ' MET . . . -61.46 -44.39 97.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -51.89 -36.62 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.45 -43.91 84.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 t70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.795 0.248 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 108' ' ' ALA . 15.2 m -111.4 164.85 12.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.525 ' HB1' ' HZ2' ' A' ' 140' ' ' TRP . . . -33.73 -70.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.547 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 11.0 t80 -40.68 -42.79 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.34 -61.85 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.2 mt -42.31 -45.78 4.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.524 ' HA ' ' CE1' ' A' ' 151' ' ' TYR . 0.9 OUTLIER -65.79 -52.36 51.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.543 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.4 p -57.23 -30.47 64.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.3 t -74.68 -10.53 59.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.54 -41.05 7.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.552 ' CD2' ' HD3' ' A' ' 119' ' ' LYS . 4.2 m-85 -83.12 -44.33 15.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.543 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 8.3 ttp180 -28.24 -57.86 0.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.8 Cg_endo -69.75 -38.05 8.36 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.552 ' HD3' ' CD2' ' A' ' 116' ' ' TYR . 0.0 OUTLIER -61.89 -26.15 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.2 pt -96.13 -31.34 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.66 -50.91 67.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -61.91 -36.21 92.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -69.31 -39.97 77.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -121.63 94.15 48.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.536 0.684 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -34.44 14.65 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.17 -51.4 54.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.526 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.637 HD22 ' HB3' ' A' ' 131' ' ' ASP . 85.7 mt -50.27 152.99 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.9 m -125.29 166.78 15.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 36.6 mt -38.48 -35.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -69.02 -51.5 28.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.637 ' HB3' HD22 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -70.7 -61.96 1.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 131' ' ' ASP . 97.2 t -35.65 -37.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.426 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -66.76 -49.3 66.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 131' ' ' ASP . 19.2 ttmt -61.06 -29.02 69.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -67.67 -25.27 65.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 113' ' ' CYS . 7.1 mt -86.82 -13.54 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.19 -47.54 79.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -70.13 -39.16 75.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 30.0 mtt -47.16 -64.96 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.565 ' CH2' ' HG2' ' A' ' 148' ' ' LYS . 4.2 t-105 -48.6 -35.19 13.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.08 -25.03 55.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -109.26 33.8 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 m -117.29 127.22 53.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.43 138.79 39.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -50.84 -34.52 28.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.15 -25.65 68.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.44 11.48 14.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.565 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 64.1 mttt -120.26 -22.97 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.649 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 11.8 tt0 -43.99 -51.4 18.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.71 -16.47 37.78 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.524 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 15.6 m-85 -90.39 -28.75 18.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -87.96 -58.49 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -44.63 -50.3 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -59.57 -52.57 64.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -43.66 -34.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.97 -54.95 34.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.451 ' O ' ' CD ' ' A' ' 161' ' ' LYS . 23.3 mmmt -50.13 -24.19 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 13.2 mt -87.89 -33.09 18.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -71.22 -43.61 66.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 161' ' ' LYS . 11.0 pt-20 -55.08 -48.74 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -56.5 -40.31 74.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 8.9 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 12.6 mtp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 t -90.27 166.37 13.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 m -40.81 -63.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.525 ' CD1' ' CG ' ' A' ' 56' ' ' TRP . 50.3 t80 -56.47 -58.61 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.444 ' O ' ' HE2' ' A' ' 20' ' ' MET . . . -41.91 -39.08 1.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 3.6 m-85 -77.97 -54.47 6.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.402 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -47.65 -19.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 23' ' ' TYR . 78.4 t -79.14 -34.9 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -92.44 -18.46 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.3 m -76.62 -37.56 56.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 85.5 m -72.44 -48.96 36.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 5.9 ptm180 -49.47 -43.96 45.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 4.9 mm-40 -66.56 -59.07 3.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -50.31 -32.6 17.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LYS . 29.2 t60 -61.23 -63.68 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -38.85 -27.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' HIS . 4.9 mmpt? -80.74 -42.98 20.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' HIS . 18.7 mmtp -67.79 -45.29 75.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . 52.9 m-70 -133.61 94.62 18.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.527 0.68 . . . . 0.0 110.838 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.242 . . . . 0.0 112.372 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -85.35 32.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.418 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . . . -82.4 175.23 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.0 p -132.74 77.51 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -110.97 142.59 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 45' ' ' PHE . 10.0 m-20 -107.15 123.77 48.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 44' ' ' ASN . 68.9 m-85 -36.76 -54.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -55.38 -52.72 62.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' SER . 5.9 mm-40 -55.37 -54.25 45.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 10.4 t80 -35.85 -32.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' GLU . 40.2 t -58.05 -54.08 51.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -49.63 -31.57 11.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -56.22 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.8 p -58.0 -34.22 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -67.46 -45.85 74.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.448 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 8.3 pt-20 -81.84 -19.2 41.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' HA ' HG22 ' A' ' 58' ' ' THR . 47.0 mtp180 -84.9 -33.54 22.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.525 ' CG ' ' CD1' ' A' ' 23' ' ' TYR . 67.3 t-105 -71.19 -31.88 68.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.448 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 17.5 ptmt -75.57 -44.33 43.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.446 HG22 ' HA ' ' A' ' 55' ' ' ARG . 6.9 t -68.82 -42.72 76.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.179 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.42 ' N ' HG23 ' A' ' 58' ' ' THR . 3.2 mtm -47.9 112.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 p -64.59 175.1 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.56 -36.63 74.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -58.76 -29.04 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -85.48 -41.62 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 74.8 mttt -71.79 -18.61 62.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.26 -72.96 0.4 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -46.83 -43.78 18.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -61.73 -35.24 77.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.65 -45.91 70.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -67.57 -62.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.2 ptp -47.41 -38.82 14.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.36 -37.18 80.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -64.3 -52.85 56.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.98 -20.25 50.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.137 0 CA-C-O 120.798 0.249 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.3 p -107.08 161.85 14.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.52 -41.46 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.484 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 10.5 t80 -60.83 -43.07 98.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.829 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 114' ' ' SER . 49.2 t80 -66.39 -47.32 73.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 72.6 mt -58.6 -38.77 78.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 113' ' ' CYS . 1.1 t80 -71.17 -60.37 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.53 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.2 p -58.56 -30.79 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 18.0 m -67.54 -21.94 65.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -97.92 -20.04 17.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.416 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.1 m-85 -92.57 -31.96 15.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.569 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 2.1 ttt180 -48.62 -56.06 16.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.77 -14.18 35.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.603 2.202 . . . . 0.0 112.364 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -89.23 -33.25 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 121' ' ' LYS . 12.1 pt -93.26 -44.99 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.437 ' N ' HG13 ' A' ' 120' ' ' ILE . 29.5 ttpt -47.19 -37.33 10.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -75.67 -37.47 39.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.473 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -68.85 -40.52 79.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 77.3 m-70 -114.44 92.61 28.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.567 0.699 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.3 Cg_endo -69.81 -12.99 33.93 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.08 -42.8 9.19 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 131' ' ' ASP . 46.5 mt -54.56 123.93 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.5 p -90.55 169.46 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 43.9 mt -45.48 -37.59 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.51 -58.06 7.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.471 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 132' ' ' VAL . 10.8 m-20 -58.41 -58.02 10.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 131' ' ' ASP . 69.5 t -35.27 -47.85 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.503 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -57.74 -48.92 78.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 131' ' ' ASP . 46.1 mmtt -51.82 -36.75 49.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -64.83 -29.34 70.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 133' ' ' ALA . 6.8 mt -86.77 -28.1 23.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.02 -43.53 97.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 139' ' ' MET . 12.9 pt-20 -75.56 -45.0 40.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.456 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 2.8 mmm -43.95 -67.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.503 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 3.2 t-105 -45.13 -36.38 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -74.68 -29.48 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 139' ' ' MET . 24.7 p30 -104.77 30.41 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.445 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 18.3 m -114.26 137.06 52.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.47 131.7 44.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -41.61 -39.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -51.85 -44.47 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.445 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 9.2 t70 -62.52 -21.05 65.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.501 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 72.3 mttt -94.74 12.33 28.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.527 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.1 tt0 -58.73 -58.73 17.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.7 Cg_endo -69.74 -32.41 18.71 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 18.1 m-85 -69.41 -46.12 67.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.56 -58.44 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 29.4 mtmt -46.71 -54.05 10.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -55.28 -69.29 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -39.42 -45.01 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -47.76 -50.54 25.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -51.96 -49.7 62.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 60.3 mt -53.37 -53.3 53.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -38.01 -50.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -47.12 -55.29 8.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -47.81 -44.43 28.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 -179.915 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.5 mtp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.743 0.306 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' SER . 5.8 t -114.59 156.12 25.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' SER . 10.1 p -36.29 -44.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.85 -60.54 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.33 -33.53 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -82.98 -39.89 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.402 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -66.06 -26.4 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.6 t -81.88 -31.33 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.63 -11.51 36.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.2 m -91.22 -52.21 4.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 m -63.02 -21.89 66.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.408 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 35.2 ptt85 -80.21 -43.28 21.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 6.3 pt-20 -70.14 -49.69 48.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.531 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 18.7 mt-10 -50.94 -35.11 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LYS . 38.3 t60 -63.36 -60.45 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -37.33 -29.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.8 OUTLIER -78.44 -43.94 25.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' HIS . 14.2 mmmt -69.21 -43.49 73.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . 34.0 m-70 -131.92 94.97 23.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 110.803 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -49.6 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.256 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -92.5 38.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.518 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . . . -80.36 172.96 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.8 t -125.22 50.61 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 p -84.61 145.15 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -105.19 145.41 30.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -67.16 -64.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.4 t -44.32 -36.7 2.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -73.69 -38.6 64.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -68.36 -23.73 64.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.87 -49.89 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -21.71 66.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HE3' ' CZ ' ' A' ' 55' ' ' ARG . 15.2 ptmt -87.38 -39.62 15.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.2 m -55.21 -28.23 51.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -64.64 -56.51 13.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.11 -25.8 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.445 ' HA ' HG22 ' A' ' 58' ' ' THR . 30.0 mtt85 -79.4 -22.25 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.498 ' CD2' ' HE2' ' A' ' 64' ' ' LYS . 46.7 t-105 -82.11 -35.65 28.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -76.7 -33.48 58.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 55' ' ' ARG . 13.6 t -72.55 -40.31 66.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 58' ' ' THR . 4.9 mtm -51.81 113.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 t -62.06 174.05 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.52 -46.38 73.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -48.08 -40.36 22.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -70.63 -52.76 19.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 86.5 mttt -63.97 -14.15 51.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -47.66 -61.66 4.56 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -55.83 -57.63 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 69.1 m-85 -48.57 -35.9 14.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -67.65 -38.86 84.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -69.97 -29.93 67.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 mtm -82.18 -45.05 15.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.59 84.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -65.08 -36.48 84.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.467 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -74.98 -29.5 60.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.775 0.239 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.8 p -133.56 169.86 16.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.08 -45.6 22.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.581 ' CE1' ' SG ' ' A' ' 113' ' ' CYS . 19.2 t80 -50.21 -52.4 36.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.38 -47.11 76.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 151' ' ' TYR . 92.9 mt -55.25 -64.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.74 -48.84 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.654 ' HA ' HD22 ' A' ' 136' ' ' LEU . 71.9 m -53.94 -61.69 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.7 t -57.62 -13.64 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -91.8 -28.46 17.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -99.29 -14.95 19.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.635 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 6.3 ttt180 -55.85 -52.16 74.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.6 Cg_endo -69.79 -5.64 16.71 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -93.74 -55.67 3.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.728 HD11 HG13 ' A' ' 132' ' ' VAL . 38.6 pt -77.17 -35.44 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 117' ' ' ARG . 31.4 ttmt -61.09 -55.85 27.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -62.57 -41.53 99.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -66.25 -39.95 89.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.923 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 81.8 m-70 -116.43 92.83 38.08 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.7 Cg_endo -69.74 -14.26 35.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.346 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -79.93 -37.66 21.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.556 HD22 ' HB3' ' A' ' 131' ' ' ASP . 38.9 mt -62.41 122.19 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.2 m -98.38 164.33 12.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.1 mt -38.28 -41.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -57.83 -50.33 66.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.556 ' HB3' HD22 ' A' ' 127' ' ' LEU . 5.5 m-20 -71.81 -64.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.728 HG13 HD11 ' A' ' 120' ' ' ILE . 59.4 t -34.82 -51.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.81 -44.52 63.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 131' ' ' ASP . 33.3 ttpt -64.16 -30.64 71.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -72.86 -21.3 60.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.654 HD22 ' HA ' ' A' ' 113' ' ' CYS . 28.4 mt -88.87 -32.23 17.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.62 -46.27 85.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.423 ' C ' ' OE1' ' A' ' 138' ' ' GLU . 0.9 OUTLIER -72.61 -39.63 67.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 24.9 mmm -54.57 -45.2 73.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.466 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 3.0 t-105 -64.79 -45.44 86.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -58.03 -31.46 67.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -103.6 42.05 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 30.9 m -121.36 137.0 54.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -82.26 143.82 31.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -45.57 -38.57 6.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -53.36 -49.56 66.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -63.11 -13.24 34.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.431 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 70.6 mttt -101.82 9.06 41.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.528 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.4 tt0 -55.92 -58.61 15.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.59 0.71 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.81 -38.73 7.3 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.632 2.221 . . . . 0.0 112.342 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.424 ' O ' HD12 ' A' ' 111' ' ' LEU . 28.8 m-85 -64.59 -39.31 93.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -77.4 -60.67 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 149' ' ' GLN . 31.6 mmtt -42.23 -47.93 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -61.75 -55.02 34.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.2 -29.68 61.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.14 96.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -57.6 -47.94 80.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.57 -40.93 89.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -60.61 -50.58 72.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -40.48 -44.39 2.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -41.78 96.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.959 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 13.1 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.539 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 21.0 mtp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.766 0.317 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -87.94 174.69 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.9 m -48.83 -49.19 40.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.462 ' O ' HG23 ' A' ' 27' ' ' VAL . 57.1 t80 -65.09 -57.18 9.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.14 -38.69 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 6.6 m-85 -80.86 -53.19 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -47.99 -23.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 23' ' ' TYR . 66.9 t -75.93 -33.69 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.425 ' HG3' ' NE ' ' A' ' 31' ' ' ARG . 18.6 tt0 -92.18 -16.82 25.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.2 m -75.24 -24.4 57.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.6 m -92.85 -40.96 10.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.479 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 14.9 ptt180 -59.77 -46.65 88.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 15.1 mm-40 -60.5 -43.02 97.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -60.74 -29.15 69.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -71.23 -56.07 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HE2' ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -46.75 -20.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -84.02 -38.06 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -78.3 -47.24 18.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.593 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . 24.4 m-70 -133.94 94.89 17.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -47.51 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.712 2.275 . . . . 0.0 112.364 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -92.98 33.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.593 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . . . -77.9 169.63 17.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.1 p -107.29 56.65 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.459 HG11 ' NZ ' ' A' ' 35' ' ' LYS . 11.8 p -93.92 134.41 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -103.03 136.83 42.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.408 ' CD2' ' N ' ' A' ' 46' ' ' SER . 10.4 p90 -50.64 -56.67 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.408 ' N ' ' CD2' ' A' ' 45' ' ' PHE . 32.8 t -55.96 -55.64 30.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -51.97 -33.63 38.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -78.49 -25.72 45.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 t -72.99 -55.87 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -60.38 -21.36 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -79.63 -33.59 41.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 m -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.9 t -66.7 -59.7 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.477 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 7.8 pt-20 -67.98 -20.88 65.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' O ' HG22 ' A' ' 58' ' ' THR . 75.3 mtt-85 -80.6 -35.99 33.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.584 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 28.4 t-105 -72.95 -36.74 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 12.7 ptmm? -72.25 -37.0 69.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 55' ' ' ARG . 4.6 t -76.09 -2.61 31.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.2 mtm -85.54 116.99 24.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.7 p -58.06 158.25 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.56 -38.9 21.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.8 mtmm -57.84 -38.87 76.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -72.32 -30.25 64.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.499 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 77.6 mttt -82.47 -28.23 31.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -43.28 -64.95 1.6 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -50.69 -50.96 53.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.488 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 15.8 m-85 -53.38 -39.39 64.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -62.4 -36.22 81.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -73.79 -61.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.417 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 6.1 mtm -48.52 -51.07 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.12 -44.61 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -57.21 -28.92 63.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 70' ' ' MET . . . -62.58 -31.72 72.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.15 0 CA-C-O 120.775 0.24 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -100.73 169.66 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.27 -46.86 46.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.485 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 6.1 t80 -65.31 -33.6 76.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 114' ' ' SER . 8.4 t80 -75.44 -32.59 60.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.3 mt -69.16 -48.79 61.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.531 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 1.5 t80 -64.8 -58.51 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.669 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.7 p -54.92 -31.3 60.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 14.2 t -74.55 -35.76 63.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -78.91 -21.89 46.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -96.43 -17.27 20.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.634 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 11.5 ttp180 -56.36 -52.33 73.96 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.582 0.706 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.5 Cg_endo -69.74 -1.61 8.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.364 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -103.78 -36.73 7.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 21.1 pt -91.41 -37.98 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -56.54 -37.3 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.46 -30.11 41.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.536 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.69 -45.9 49.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.648 ' CB ' HD12 ' A' ' 127' ' ' LEU . 15.6 m-70 -109.85 88.82 7.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.553 0.692 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.5 Cg_endo -69.76 -6.32 18.32 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -91.26 -40.15 5.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.648 HD12 ' CB ' ' A' ' 124' ' ' HIS . 22.2 mt -57.48 127.41 31.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 129' ' ' ILE . 82.8 p -100.66 162.43 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 128' ' ' SER . 18.3 mt -36.5 -37.63 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.32 -52.86 43.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 134' ' ' LYS . 2.3 m-20 -71.11 -58.33 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 131' ' ' ASP . 54.5 t -34.28 -44.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.05 89.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 131' ' ' ASP . 31.5 tptt -62.9 -23.0 67.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -76.41 -30.41 57.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.669 HD13 ' HB2' ' A' ' 113' ' ' CYS . 10.0 mt -88.77 -39.22 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -52.65 -39.81 54.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -81.43 -36.31 29.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.1 -42.29 98.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.531 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 13.0 t-105 -68.46 -35.11 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -72.19 -27.53 62.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -89.17 -36.42 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 20.6 m -42.72 148.95 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -81.6 152.54 27.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.52 83.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -57.38 -36.2 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.78 -19.44 62.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.474 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 27.2 mttp -92.75 -18.39 22.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.515 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.7 tt0 -34.78 -59.09 0.63 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.523 0.677 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.8 Cg_endo -69.77 -45.16 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.655 2.237 . . . . 0.0 112.379 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 15.0 m-85 -53.63 -31.65 48.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.01 -53.79 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -50.24 -36.9 33.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -75.61 -50.9 14.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.86 -18.41 8.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -75.74 -60.9 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 158' ' ' LEU . 12.7 pttt -49.71 -38.58 33.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.482 ' N ' ' HG3' ' A' ' 157' ' ' LYS . 12.6 mt -59.54 -40.51 87.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -48.38 -39.42 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -51.95 -53.08 45.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -50.29 -24.92 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.932 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.614 ' HE3' ' CG ' ' A' ' 25' ' ' PHE . 8.8 mtm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.735 0.302 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -108.71 -176.65 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -57.04 -48.95 77.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 27' ' ' VAL . 84.7 t80 -64.65 -60.24 3.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.464 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -41.24 -40.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CG ' ' HE3' ' A' ' 20' ' ' MET . 9.7 m-85 -78.32 -55.0 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -47.48 -31.76 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 23' ' ' TYR . 87.2 t -73.11 -32.21 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -92.29 -15.43 27.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.0 m -86.71 -46.64 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.5 p -67.82 -33.87 75.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -59.69 -46.14 89.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 50.0 mm-40 -71.99 -48.27 46.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -49.84 -31.73 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -68.73 -60.43 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.22 -25.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -82.41 -40.54 21.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -69.45 -43.78 72.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -134.8 94.67 16.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.7 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.638 2.225 . . . . 0.0 112.372 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.85 -37.96 60.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.22 124.59 23.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.8 m -104.14 95.63 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.501 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 12.0 p -90.2 128.7 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -67.44 160.08 28.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -84.08 -47.97 10.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -57.64 -46.92 83.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.564 ' CD ' ' N ' ' A' ' 48' ' ' PHE . 2.1 pp20? -62.61 -45.7 91.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.564 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 11.9 t80 -53.89 -26.11 23.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.2 t -71.7 -50.81 26.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -61.15 -19.56 61.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -87.29 -57.42 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.0 p -46.97 -25.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.6 t -67.62 -71.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.22 -17.67 64.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -84.01 -22.18 31.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.582 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 24.1 t-105 -88.72 -36.7 16.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -70.0 -27.22 64.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.2 t -88.41 7.41 32.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.9 mtp -94.57 112.66 24.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.5 m -53.22 155.97 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.09 -38.22 11.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -56.47 -48.81 76.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.73 -51.16 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.57 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 92.4 mttt -61.37 -34.04 74.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -34.99 -66.95 0.3 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.546 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 7.9 ptpp? -48.03 -31.69 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.338 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.61 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 81.4 m-85 -83.83 -23.13 31.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -81.61 -20.81 38.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -93.62 -36.32 12.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.61 ' HE3' ' HA ' ' A' ' 67' ' ' PHE . 8.8 ptp -75.2 -23.09 57.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.37 -45.22 23.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 7.5 ptmt -60.39 -35.4 75.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -57.79 -31.58 66.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.9 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.466 -0.106 0 CA-C-O 120.823 0.26 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.1 m -126.99 171.52 11.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.39 -64.41 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.501 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 10.7 t80 -45.39 -51.59 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -57.57 -43.02 84.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.85 -56.26 18.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.657 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.3 OUTLIER -57.34 -47.61 81.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.423 ' HA ' HD22 ' A' ' 136' ' ' LEU . 1.4 p -65.67 -32.9 74.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.2 m -71.67 -18.32 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -99.37 -15.88 18.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.623 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 3.1 m-85 -97.07 -40.83 8.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.577 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 0.4 OUTLIER -44.04 -55.26 9.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 110.884 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.2 Cg_endo -69.76 -16.37 37.54 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.353 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -88.28 -30.1 19.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 121' ' ' LYS . 12.4 pt -94.26 -47.15 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.469 ' N ' HG13 ' A' ' 120' ' ' ILE . 0.8 OUTLIER -44.0 -41.13 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.71 -36.53 75.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.472 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -71.86 -40.8 68.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -112.19 90.47 13.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.599 0.714 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -9.64 26.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -85.39 -39.1 8.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 131' ' ' ASP . 92.4 mt -62.15 132.83 54.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 129' ' ' ILE . 23.1 t -106.5 163.29 12.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 128' ' ' SER . 51.1 mt -34.5 -38.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.09 -56.38 16.33 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.554 ' HB3' HD22 ' A' ' 127' ' ' LEU . 7.2 m-20 -65.57 -61.19 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.359 . . . . 0.0 110.817 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 131' ' ' ASP . 89.6 t -34.52 -39.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.502 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -61.05 -48.97 79.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 131' ' ' ASP . 4.4 ttpm? -53.43 -36.89 62.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 139' ' ' MET . 9.2 tptt -64.85 -31.94 73.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 133' ' ' ALA . 8.7 mt -81.62 -35.11 30.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.86 -44.43 97.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.485 ' O ' ' ND2' ' A' ' 142' ' ' ASN . 13.2 pt-20 -78.28 -46.81 19.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 14.3 mmm -44.64 -58.17 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.657 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 7.2 t-105 -52.29 -51.29 59.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -51.92 -34.47 41.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 138' ' ' GLU . 19.8 m-80 -102.04 41.35 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 48.5 m -109.4 142.37 40.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -74.66 136.97 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -51.97 -41.75 62.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -58.74 -34.0 70.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -73.14 -18.19 61.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.578 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 30.5 mttm -91.31 -24.2 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.539 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.8 tt0 -33.6 -58.09 0.56 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.4 Cg_endo -69.77 -25.93 28.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.246 . . . . 0.0 112.329 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.502 ' N ' ' O ' ' A' ' 148' ' ' LYS . 13.7 m-85 -79.76 -21.17 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -94.07 -54.25 3.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -53.52 -41.4 66.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -56.47 15.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.86 -41.26 57.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -51.15 -44.34 61.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -58.09 -46.39 85.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.14 -31.09 69.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -65.56 -48.85 71.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -45.41 -57.65 3.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.94 -34.64 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 25.4 mtp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.814 0.34 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -96.17 -175.17 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -54.69 -53.34 56.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.799 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.453 ' O ' HG23 ' A' ' 27' ' ' VAL . 67.0 t80 -60.86 -62.89 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.58 -36.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 8.0 m-85 -83.15 -40.77 19.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -59.57 -33.07 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.488 HG13 ' SG ' ' A' ' 52' ' ' CYS . 45.4 t -68.38 -27.75 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.066 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.445 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 4.6 tt0 -91.54 -17.36 25.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.5 m -82.5 -32.72 28.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.1 m -84.12 -33.05 24.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.445 ' NE ' ' HA ' ' A' ' 28' ' ' GLN . 6.7 ptp180 -70.43 -37.97 74.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -73.9 -44.33 55.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.33 -34.01 70.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -58.42 -66.59 0.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -43.07 -30.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -74.0 -48.69 28.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.0 mmtt -62.77 -41.69 99.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -133.96 94.63 18.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.553 0.692 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -36.0 11.67 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.344 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.61 -34.26 69.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.77 118.82 16.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -102.91 96.16 6.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.3 p -85.75 142.07 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -80.05 152.61 29.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -70.96 -57.64 4.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -50.77 -53.62 30.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -57.09 -40.01 76.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.496 ' CE2' ' SG ' ' A' ' 52' ' ' CYS . 49.8 t80 -67.44 -35.06 78.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' A' ' 50' ' ' LYS . 3.0 p -53.56 -58.57 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' N ' ' OG ' ' A' ' 49' ' ' SER . 3.5 ptmm? -58.48 -19.49 37.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -81.78 -26.88 34.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.496 ' SG ' ' CE2' ' A' ' 48' ' ' PHE . 94.3 m -79.79 -26.86 40.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -70.71 -49.2 49.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -76.41 -14.65 60.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.5 mtt-85 -90.42 -28.93 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.521 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 47.4 t-105 -77.58 -38.57 48.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -70.23 -39.71 74.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.5 t -66.68 -40.4 88.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.3 mtm -51.28 110.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.0 m -47.6 175.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.33 -27.92 69.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -70.46 -56.56 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -50.27 -29.71 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.521 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 97.0 mttt -80.2 -28.84 38.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.8 -55.13 3.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -54.26 -36.65 63.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -78.25 -28.05 47.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.2 -30.43 64.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -84.55 -42.78 15.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.1 ptp -63.23 -27.28 69.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.98 -45.78 73.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -54.39 -53.41 54.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.93 82.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.152 0 CA-C-O 120.787 0.245 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 108' ' ' ALA . 5.2 p -118.49 154.13 33.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -34.56 -43.82 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.597 ' CE1' ' SG ' ' A' ' 113' ' ' CYS . 23.8 t80 -58.03 -61.21 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -47.35 -43.24 22.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 114' ' ' SER . 68.0 mt -60.61 -66.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.6 ' CE2' ' CZ ' ' A' ' 116' ' ' TYR . 0.4 OUTLIER -41.38 -45.0 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.855 ' HB3' HD13 ' A' ' 136' ' ' LEU . 13.4 m -67.67 -34.34 76.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 111' ' ' LEU . 11.1 t -65.1 -14.82 61.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -101.36 -31.24 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.6 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 5.2 m-85 -81.58 -35.8 29.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.582 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 7.8 ttm180 -45.67 -55.62 12.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.0 Cg_endo -69.71 -14.74 36.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.382 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -97.11 -19.36 18.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.405 HD11 ' HA ' ' A' ' 117' ' ' ARG . 3.4 pt -101.76 -48.63 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.403 ' N ' ' CG1' ' A' ' 120' ' ' ILE . 26.2 ttpp -48.51 -43.6 35.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.82 -36.25 86.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -70.0 -41.91 73.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.784 ' HB2' HD12 ' A' ' 127' ' ' LEU . 63.9 m-70 -111.86 92.89 18.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.9 Cg_endo -69.7 -7.47 21.12 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -93.61 -31.58 8.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.784 HD12 ' HB2' ' A' ' 124' ' ' HIS . 17.0 mt -60.24 134.81 57.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.8 t -107.98 166.99 10.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 56.9 mt -44.18 -36.34 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.52 -50.52 36.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 132' ' ' VAL . 11.7 m-20 -69.02 -58.62 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 131' ' ' ASP . 53.8 t -36.14 -45.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.85 -59.72 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.24 -36.55 9.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -63.51 -33.18 75.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.855 HD13 ' HB3' ' A' ' 113' ' ' CYS . 22.1 mt -82.38 -25.09 34.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.419 ' O ' ' ND2' ' A' ' 141' ' ' ASN . . . -68.74 -44.31 70.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.494 ' OE1' ' ND2' ' A' ' 142' ' ' ASN . 2.1 pp20? -71.52 -35.64 70.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 30.7 mtt -54.8 -64.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.535 ' CD1' ' HB2' ' A' ' 109' ' ' PHE . 1.7 t-105 -47.56 -38.78 14.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 137' ' ' GLY . 62.7 m-80 -72.66 -24.19 61.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . 0.494 ' ND2' ' OE1' ' A' ' 138' ' ' GLU . 21.3 p30 -111.29 26.91 10.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.4 m -110.97 138.9 46.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.63 144.59 45.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.044 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.84 -38.74 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -55.21 -35.33 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -73.45 -14.81 61.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -98.03 2.75 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.517 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.9 tt0 -51.06 -58.84 9.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.75 -21.57 33.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.728 2.286 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.523 ' CZ ' ' HA ' ' A' ' 112' ' ' PHE . 22.5 m-85 -85.21 -22.9 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -92.52 -53.41 4.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -51.05 -47.41 61.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -49.32 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -49.12 -30.59 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.95 -59.88 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -50.74 -26.59 5.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.84 -38.97 31.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 160' ' ' GLU . 0.3 OUTLIER -61.57 -48.63 80.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 161' ' ' LYS . 10.6 pt-20 -61.07 -50.82 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 160' ' ' GLU . 2.7 mmmp? -52.38 -21.18 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.7 mtp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' SER . 3.6 t -93.32 156.78 16.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' SER . 1.9 m -36.69 -67.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.481 ' CD1' ' CG ' ' A' ' 56' ' ' TRP . 39.8 t80 -51.97 -46.08 64.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.946 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.48 -34.78 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -80.95 -44.12 18.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -55.23 -16.89 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.0 t -92.38 -26.93 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -91.95 -23.52 19.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 m -77.17 -64.98 1.01 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.5 m -51.34 -40.78 59.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 7.4 ptm180 -64.83 -38.24 90.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 36' ' ' LYS . 6.2 mm-40 -78.46 -21.46 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -80.89 -32.84 34.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LYS . 3.0 t60 -59.84 -57.54 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -39.54 -29.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.4 OUTLIER -80.51 -41.32 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' HIS . 17.7 mmtp -69.75 -43.2 72.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.583 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 15.6 m-70 -134.73 93.99 17.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.612 0.72 . . . . 0.0 110.826 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.358 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.83 33.79 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.583 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . . . -89.43 178.59 6.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.8 m -127.78 101.99 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 p -126.31 144.22 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -103.62 179.43 4.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -98.42 -50.87 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -64.06 -20.59 66.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -85.64 -43.86 13.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 7.6 t80 -64.41 -23.49 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -82.95 -42.12 18.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.9 pttt -72.57 -20.99 61.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -86.49 -38.56 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.4 p -69.28 -24.63 63.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -75.85 -40.2 55.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -84.01 -14.03 51.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' HA ' HG22 ' A' ' 58' ' ' THR . 43.3 mtt-85 -91.17 -45.85 8.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.576 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 41.4 t-105 -58.51 -33.1 69.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.21 -40.04 46.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.941 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 58' ' ' THR . 1.2 t -80.21 12.69 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.9 mtm -95.6 111.83 23.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 64.7 m -47.21 161.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.88 -29.99 56.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -68.58 -52.45 31.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -51.92 -35.38 45.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 90.8 mttt -80.6 -32.61 36.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -36.6 -54.7 1.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.451 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -54.37 -56.35 19.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 31.0 m-85 -54.96 -33.78 62.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.93 -32.06 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -79.74 -39.44 31.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.401 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 5.0 mtm -70.3 -43.07 71.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 22' ' ' SER . . . -60.86 -48.25 82.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.453 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 13.3 pttm -64.55 -45.4 87.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.453 ' N ' ' CG ' ' A' ' 72' ' ' LYS . . . -70.05 -29.76 66.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.09 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 70' ' ' MET . 52.1 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.796 0.248 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 109' ' ' PHE . 41.9 p -111.63 154.79 24.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.4 -32.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.522 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 7.7 t80 -73.51 -55.86 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -57.36 -36.81 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 43.3 mt -63.1 -55.04 28.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.547 ' HB2' ' CE2' ' A' ' 151' ' ' TYR . 0.9 OUTLIER -56.61 -55.7 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.949 ' HB2' HD13 ' A' ' 136' ' ' LEU . 4.1 p -59.5 -31.15 69.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 t -65.9 -24.09 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -90.26 -23.4 21.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -98.51 -11.86 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.644 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 13.6 ttp180 -60.23 -52.3 74.16 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.63 0.729 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.1 Cg_endo -69.78 3.22 2.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -103.24 -50.41 3.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.492 ' CD1' HD21 ' A' ' 136' ' ' LEU . 9.3 pt -80.27 -37.93 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -51.6 -36.82 47.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.82 -16.4 75.27 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -87.26 -42.99 12.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -112.58 92.2 19.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.542 0.687 . . . . 0.0 110.83 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 1.71 4.16 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -98.98 -41.03 3.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.3 mt -52.42 119.61 4.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 130' ' ' GLY . 89.7 p -90.43 159.26 16.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' SER . 28.7 mt -33.71 -36.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 128' ' ' SER . . . -72.43 -54.35 7.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 132' ' ' VAL . 9.0 m-20 -60.04 -58.23 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ASP . 56.8 t -36.27 -51.88 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.54 20.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -53.1 -20.82 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 16.4 tptm -78.77 -42.64 27.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.949 HD13 ' HB2' ' A' ' 113' ' ' CYS . 5.7 mt -74.4 -12.16 60.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.36 -38.51 95.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 0.7 OUTLIER -66.67 -40.78 88.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.377 . . . . 0.0 110.908 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -57.58 -57.74 11.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.522 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 2.3 t-105 -52.58 -37.37 57.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -74.76 -29.59 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -103.72 27.54 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.5 m -120.07 109.37 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -44.24 139.34 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -54.01 -25.93 23.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -59.37 -36.48 75.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -71.2 -22.79 61.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.481 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 75.6 mttt -86.88 -4.48 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.507 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.2 tt0 -43.23 -59.63 3.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.538 0.685 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.8 Cg_endo -69.79 -26.77 27.1 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.354 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 10.6 m-85 -74.11 -27.79 61.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -91.53 -50.86 5.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -51.22 -41.03 60.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -68.08 -63.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -41.35 -37.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -53.68 -62.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -43.52 -57.95 2.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 78.8 mt -44.93 -46.54 11.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -43.07 -57.11 3.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -40.9 -43.32 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -60.74 -45.58 93.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.573 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 46.0 mtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.761 0.315 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' SER . 84.3 p -78.55 155.75 29.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' SER . 0.9 OUTLIER -36.0 -47.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 -179.806 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.499 ' O ' HG23 ' A' ' 27' ' ' VAL . 57.6 t80 -66.67 -56.35 11.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -42.24 -42.2 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.043 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 2.5 m-85 -80.94 -49.16 11.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.545 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -51.09 -33.41 25.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 23' ' ' TYR . 84.1 t -69.56 -32.83 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -91.5 -19.58 22.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.9 m -82.93 -48.9 10.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 m -65.82 -34.01 77.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 14.0 ptt180 -72.73 -44.73 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 33' ' ' GLU . 4.3 pt-20 -67.21 -46.74 72.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 10.3 mt-10 -52.0 -37.13 52.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' LYS . 8.9 t60 -60.52 -63.58 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' N ' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -38.31 -31.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.906 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' HIS . 1.9 mptp? -77.28 -47.32 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' HIS . 26.3 mmtm -63.08 -43.02 99.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 29.5 m-70 -134.2 94.36 18.11 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.54 0.686 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.9 Cg_endo -69.74 -45.66 1.52 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -54.92 -42.19 71.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.19 126.92 29.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -106.92 104.74 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.9 p -99.08 133.31 42.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -74.6 162.82 28.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -89.32 -51.22 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 m -53.88 -44.34 70.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -67.66 -50.66 56.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 15.8 t80 -41.76 -36.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -53.78 -45.07 70.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.86 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -77.66 -60.54 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.5 p -47.96 -31.42 5.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.1 t -68.17 -61.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -63.36 -24.16 67.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.471 ' HA ' ' CG2' ' A' ' 58' ' ' THR . 26.9 mtt-85 -82.84 -32.72 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.489 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 35.1 t-105 -67.8 -38.02 82.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -72.34 -51.38 20.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.504 HG23 ' N ' ' A' ' 59' ' ' MET . 6.0 t -55.84 -48.29 75.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.504 ' N ' HG23 ' A' ' 58' ' ' THR . 5.4 mtm -35.72 120.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 90.8 p -65.03 154.26 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.13 -44.53 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.067 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -49.82 -56.46 10.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -52.91 -60.05 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 81.1 mttt -49.74 -36.83 26.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -42.15 -72.48 0.28 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 3.4 pttm -47.26 -36.34 8.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.324 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.545 ' CD1' ' HB2' ' A' ' 26' ' ' PHE . 25.2 m-85 -70.74 -29.29 65.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -79.6 -42.65 24.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -65.55 -36.79 84.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 17.0 ptp -76.77 -35.74 57.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.98 -45.77 63.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 12.3 ptmt -56.18 -34.64 66.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -48.94 -42.06 35.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.778 0.241 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -123.3 175.83 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.37 -53.52 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.489 ' HB2' ' NE1' ' A' ' 140' ' ' TRP . 14.0 t80 -45.0 -70.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 109' ' ' PHE . 52.5 t80 -37.9 -42.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.21 -44.27 76.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 113' ' ' CYS . 0.7 OUTLIER -66.07 -54.91 19.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.523 ' HB2' HD13 ' A' ' 136' ' ' LEU . 0.8 OUTLIER -60.72 -34.36 74.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.4 t -71.52 -33.2 68.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -82.33 -21.72 35.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -93.54 -30.92 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.652 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 8.4 ttp180 -43.59 -51.75 15.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.1 Cg_endo -69.83 -19.5 35.7 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.348 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -85.51 -68.31 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 121' ' ' LYS . 41.7 pt -51.32 -36.34 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.445 ' N ' HG13 ' A' ' 120' ' ' ILE . 26.2 ttpp -57.78 -47.27 83.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -65.99 -38.65 94.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.82 -42.8 90.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 36.3 m-70 -110.11 94.62 18.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.8 Cg_endo -69.75 3.17 2.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.378 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -104.97 -41.8 1.9 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.44 ' HB3' HG22 ' A' ' 132' ' ' VAL . 69.8 mt -48.27 124.72 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.355 . . . . 0.0 110.913 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 129' ' ' ILE . 49.9 m -97.39 158.51 15.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 128' ' ' SER . 43.1 mt -33.99 -39.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.24 -53.96 12.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 132' ' ' VAL . 20.4 m-20 -66.18 -54.88 19.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' ' 127' ' ' LEU . 98.6 t -35.96 -44.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.04 -51.69 68.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.436 ' HE3' ' N ' ' A' ' 134' ' ' LYS . 0.1 OUTLIER -46.25 -39.41 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.1 -33.94 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 113' ' ' CYS . 16.5 mt -86.59 -24.59 25.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -67.75 -41.25 89.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.76 -42.93 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 37.6 mtp -46.52 -54.29 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.553 ' CH2' ' HG2' ' A' ' 148' ' ' LYS . 5.3 t-105 -54.29 -50.32 67.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -50.49 -39.64 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -100.4 38.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 66.0 m -111.27 134.6 52.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.57 162.28 25.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.39 87.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.94 -48.88 60.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.463 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 9.7 t70 -60.59 -18.23 51.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.553 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 59.9 mttt -102.16 19.27 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.537 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.3 tt0 -68.5 -57.46 8.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 110.948 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.7 Cg_endo -69.79 -34.53 14.28 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.413 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 26.0 m-85 -67.95 -36.19 79.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -77.04 -52.52 9.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 35.6 mttt -53.72 -51.5 63.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.83 -59.91 4.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -37.11 -36.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -53.21 -50.26 65.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.088 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -54.2 -51.37 64.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 159' ' ' LYS . 20.9 mt -49.78 -54.48 18.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 158' ' ' LEU . 31.6 tttp -37.03 -42.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -40.26 -51.16 2.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -52.58 -52.4 55.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 31.8 t80 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.425 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 41.3 mtp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -96.9 157.07 16.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.2 p -38.47 -45.24 1.02 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -61.07 -57.4 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.47 -39.91 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 17.5 m-85 -77.8 -57.99 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -45.12 -42.52 8.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.2 -30.02 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.39 -14.38 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.8 m -83.05 -35.97 25.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.7 p -77.86 -34.28 51.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -68.82 -37.4 79.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.539 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 8.0 pt-20 -71.7 -50.28 31.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.539 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 11.3 mt-10 -54.01 -39.86 66.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' LYS . 53.8 t60 -64.16 -67.73 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -41.52 -24.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' HIS . 17.0 mmmt -81.27 -45.99 15.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -67.47 -42.53 82.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 14.6 m-70 -132.94 94.52 20.71 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.592 0.71 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 54.5 Cg_endo -69.68 -45.36 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.7 2.267 . . . . 0.0 112.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -59.38 -40.09 85.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.44 106.81 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.2 m -92.54 89.53 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 p -90.14 141.7 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -76.7 176.23 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 46' ' ' SER . 25.8 p90 -88.91 -47.7 7.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 25.5 t -61.83 -39.14 90.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.05 -41.29 99.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -75.41 -34.75 61.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m -60.53 -58.28 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -57.7 -25.29 60.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.75 -43.11 26.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.0 p -67.75 -29.81 69.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.2 t -66.37 -49.53 66.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -77.61 -21.23 52.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.523 ' HA ' HG22 ' A' ' 58' ' ' THR . 78.6 mtt180 -82.97 -23.98 33.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.497 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 48.1 t-105 -80.53 -35.48 34.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -80.22 -30.2 38.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 55' ' ' ARG . 14.1 t -75.03 -27.69 60.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.3 mtm -64.97 128.09 34.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.2 m -68.25 168.37 12.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.07 -49.29 66.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -48.64 -38.2 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -70.9 -44.35 66.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 71.0 mttt -69.02 -25.42 64.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -38.93 -67.72 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.4 pttm -56.74 -37.51 71.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 26' ' ' PHE . 33.5 m-85 -67.08 -23.16 65.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -78.33 -47.37 17.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -70.63 -55.82 7.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.481 ' HB3' ' HE2' ' A' ' 70' ' ' MET . 8.7 ptp -48.65 -31.56 6.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.73 75.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -55.85 -37.53 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.61 -38.02 30.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.0 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.538 ' HB2' ' CD1' ' A' ' 110' ' ' PHE . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.125 0 CA-C-O 120.823 0.26 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.3 p -115.11 178.73 4.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.62 -37.44 63.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.48 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 3.0 t80 -62.75 -48.34 79.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 106' ' ' PRO . 4.0 t80 -58.7 -45.87 88.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.8 mt -60.11 -46.01 91.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.586 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -64.34 -49.66 70.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.688 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.7 p -61.8 -29.46 70.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.9 t -76.47 -16.26 59.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -101.44 -15.83 17.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.432 ' HA ' ' HB3' ' A' ' 119' ' ' LYS . 6.8 m-85 -103.89 -44.18 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.588 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 6.4 ttt180 -38.28 -55.21 2.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.617 0.723 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.6 Cg_endo -69.71 -28.06 25.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 116' ' ' TYR . 7.8 tttt -70.68 -55.45 8.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 21.2 pt -67.58 -32.43 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -56.9 -46.98 81.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -66.69 -35.22 89.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -45.07 71.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.918 ' HB2' HD12 ' A' ' 127' ' ' LEU . 68.7 m-70 -108.55 93.32 11.61 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 0.1 6.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -100.84 -35.76 4.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.918 HD12 ' HB2' ' A' ' 124' ' ' HIS . 23.2 mt -50.58 127.71 18.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 131' ' ' ASP . 4.3 m -96.15 155.92 16.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 39.7 mt -40.39 -35.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -66.58 -39.26 93.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 134' ' ' LYS . 1.6 m-20 -79.93 -61.63 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 131' ' ' ASP . 72.4 t -32.75 -34.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 131' ' ' ASP . . . -77.88 -46.24 21.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 131' ' ' ASP . 8.6 ptpt -56.33 -35.07 67.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 42.1 mttt -68.87 -27.5 65.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' A' ' 113' ' ' CYS . 52.7 mt -82.88 -35.74 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -55.87 -39.73 78.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.471 ' O ' ' ND2' ' A' ' 142' ' ' ASN . 11.1 pt-20 -89.17 -41.95 11.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 110.83 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 13.3 mmm -43.52 -49.96 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.586 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 7.5 t-105 -59.73 -52.54 65.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -48.36 -43.67 33.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 138' ' ' GLU . 45.3 m-80 -72.79 -36.0 67.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 22.1 m -52.2 125.93 17.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.54 165.58 9.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.078 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.48 -32.22 72.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.95 -49.17 77.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -58.83 -12.47 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.484 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 84.9 mttt -99.86 20.86 13.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.525 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.8 tt0 -67.57 -58.15 8.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.624 0.726 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.74 -14.91 36.82 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.297 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -92.73 -52.96 4.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.61 -54.41 43.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 23.5 mmtt -58.95 -41.38 87.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 150' ' ' PRO . 6.4 mmmt -57.11 -58.71 7.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -48.41 -40.13 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -48.34 -47.72 36.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -58.48 -45.01 89.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.28 -45.01 94.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -47.29 -34.15 6.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -57.96 -42.42 84.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -63.52 -20.16 65.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 7.7 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 19.3 mtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 22' ' ' SER . 4.4 t -86.32 163.8 17.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.438 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 3.7 m -36.36 -62.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.582 ' O ' HG23 ' A' ' 27' ' ' VAL . 47.9 t80 -54.76 -58.72 6.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.975 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.36 -39.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 4.1 m-85 -81.06 -59.81 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.56 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -42.5 -44.26 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.777 HG13 ' SG ' ' A' ' 52' ' ' CYS . 66.0 t -56.78 -35.46 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -89.35 -15.49 33.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 m -77.86 -29.15 50.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 p -82.35 -47.88 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 7.8 ptm180 -47.39 -44.35 24.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 19.7 mt-10 -61.65 -43.02 99.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -57.75 -33.45 68.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' LYS . 8.7 t60 -68.08 -58.65 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -42.1 -25.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.931 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 34' ' ' HIS . 18.6 mmtp -80.08 -42.29 23.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' HIS . 4.3 mmpt? -71.23 -45.41 63.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 9.1 m-70 -134.23 93.49 19.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.711 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.79 -49.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -59.72 -33.89 72.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.4 122.57 21.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.2 p -99.38 71.06 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 43' ' ' VAL . 4.7 p -42.72 125.1 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.9 136.24 56.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -68.49 -58.89 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.0 m -44.64 -48.65 10.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -66.49 -51.27 58.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -41.38 -40.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.1 t -45.75 -53.19 9.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -52.4 -28.59 20.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.401 ' O ' ' HD2' ' A' ' 55' ' ' ARG . 3.6 tptt -73.38 -55.01 6.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.777 ' SG ' HG13 ' A' ' 27' ' ' VAL . 73.0 m -54.98 -36.77 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.6 p -66.89 -57.7 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -58.84 -22.5 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.44 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.0 OUTLIER -86.7 -41.53 14.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.512 ' CD2' ' HE2' ' A' ' 64' ' ' LYS . 74.0 t-105 -67.9 -36.15 79.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 58' ' ' THR . 13.9 ptmt -72.12 -42.6 65.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.478 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 15.2 t -74.64 -40.92 61.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.439 ' N ' HG23 ' A' ' 58' ' ' THR . 3.4 mtm -50.05 122.49 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 p -76.38 175.39 9.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.28 -38.45 65.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 19.0 pttp -52.27 -44.53 65.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 62' ' ' LYS . 5.6 mm-40 -72.32 -58.35 3.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.512 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 71.2 mttt -53.01 -30.1 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.38 -78.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 46.7 pttt -41.51 -49.82 3.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 14.0 m-85 -54.22 -39.49 66.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.72 -34.67 77.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -73.89 -37.86 64.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.6 mtm -69.09 -48.55 62.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' A' ' 22' ' ' SER . . . -58.2 -43.68 87.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 10.0 ptmt -70.23 -35.63 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -57.14 -37.02 71.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.45 ' OD1' ' C ' ' A' ' 74' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.744 0.227 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 110' ' ' PHE . 68.4 m -118.34 157.68 26.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.443 ' HB1' ' HZ2' ' A' ' 140' ' ' TRP . . . -36.07 -55.13 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.081 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.56 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 8.1 t80 -53.4 -37.87 62.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 107' ' ' SER . 10.4 t80 -69.77 -54.18 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 41.0 mt -50.31 -49.14 54.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.458 ' CE2' ' CZ ' ' A' ' 116' ' ' TYR . 2.1 t80 -60.41 -56.15 24.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.588 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.9 p -57.5 -29.57 64.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.0 t -73.18 -22.45 60.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -94.76 -21.61 18.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.458 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 4.7 m-85 -94.28 -22.13 18.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.645 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 7.3 ttp180 -52.55 -52.04 67.45 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.645 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.76 -4.33 13.8 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -98.83 -37.88 9.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.9 pt -89.58 -36.85 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -56.66 -42.45 78.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -71.4 -35.6 63.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -70.76 -43.73 68.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.382 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.85 ' HB2' HD12 ' A' ' 127' ' ' LEU . 21.9 m-70 -112.28 91.34 16.04 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.632 0.729 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -18.08 37.27 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.644 2.229 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.01 -41.11 10.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.85 HD12 ' HB2' ' A' ' 124' ' ' HIS . 48.6 mt -48.06 127.48 12.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 129' ' ' ILE . 10.3 p -96.25 159.34 15.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 128' ' ' SER . 69.5 mt -36.27 -44.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.05 -54.43 33.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 132' ' ' VAL . 45.3 m-20 -63.77 -59.21 4.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.824 0.345 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 131' ' ' ASP . 91.6 t -35.8 -39.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.37 -51.28 70.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.27 -38.19 39.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -61.51 -26.96 68.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.588 HD13 ' HB2' ' A' ' 113' ' ' CYS . 11.6 mt -91.18 -32.64 15.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.04 -38.75 77.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 139' ' ' MET . 12.0 pt-20 -80.96 -47.38 13.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.458 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 25.0 mtt -39.46 -57.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.56 ' CD1' ' HB2' ' A' ' 109' ' ' PHE . 2.1 t-105 -55.48 -41.5 73.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -65.92 -24.25 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -100.39 28.36 5.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 16.3 m -113.99 150.35 33.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -92.25 153.13 19.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.105 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -51.24 -41.97 60.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.28 -30.95 69.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.84 12.39 7.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -125.07 -16.86 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.644 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 3.0 tp60 -45.43 -51.64 25.96 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.58 0.705 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.5 Cg_endo -69.76 -38.4 7.86 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.3 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -66.8 -25.22 66.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -93.81 -61.2 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -40.66 -38.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -72.05 -47.36 52.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.48 77.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -48.22 -49.21 33.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -48.58 -42.77 34.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 17.4 mt -72.34 -32.41 66.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -59.34 -43.71 92.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -49.74 -46.42 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -61.38 -46.73 88.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 10.1 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.549 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 8.7 mtm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.754 0.311 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.532 ' H ' ' HB3' ' A' ' 24' ' ' ALA . 74.1 m -105.22 176.43 5.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.8 p -48.43 -57.3 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.521 ' O ' HG23 ' A' ' 27' ' ' VAL . 46.4 t80 -62.46 -55.39 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HB3' ' H ' ' A' ' 21' ' ' SER . . . -46.66 -36.57 7.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.072 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 8.7 m-85 -80.4 -49.17 11.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.511 ' CE1' ' SD ' ' A' ' 59' ' ' MET . 0.5 OUTLIER -51.63 -28.99 16.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 23' ' ' TYR . 98.6 t -72.51 -29.99 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -92.12 -23.86 19.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -71.11 -24.03 62.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 95.8 m -91.64 -37.38 13.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 7.9 ptm180 -65.04 -43.39 92.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 31.5 mt-10 -66.83 -45.87 76.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -64.41 -30.91 71.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' LYS . 39.0 t60 -63.55 -70.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -38.99 -26.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -76.54 -42.24 43.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' HIS . 32.9 mmtt -82.04 -47.91 12.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.958 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 33.1 m-70 -134.51 93.22 18.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 0.0 110.821 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -46.91 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -100.94 36.92 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.958 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . . . -83.68 30.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.5 t 41.63 47.24 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.9 p -79.24 128.19 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -103.74 136.66 43.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -67.1 -44.56 79.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -60.27 -43.78 95.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -67.4 -52.7 36.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -49.34 -35.82 19.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.2 t -63.11 -52.54 62.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 51' ' ' LYS . 21.0 pttt -68.19 -32.01 71.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 27.6 mtmt -67.9 -43.49 79.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.444 ' HB3' HG22 ' A' ' 27' ' ' VAL . 8.7 m -58.67 -35.65 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.4 t -66.21 -58.36 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.89 -17.04 62.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.4 mtt85 -92.49 -23.97 18.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.479 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 59.3 t-105 -83.32 -34.29 25.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -23.47 58.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.9 t -91.05 -28.44 17.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.511 ' SD ' ' CE1' ' A' ' 26' ' ' PHE . 13.9 mtp -57.04 111.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 t -52.95 161.16 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.09 -38.99 55.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -57.03 -39.57 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -70.35 -41.48 73.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 80.5 mttt -71.46 -26.63 62.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.53 -67.48 1.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -50.43 -37.53 38.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.684 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 29.4 m-85 -70.19 -27.22 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.93 -37.41 62.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -75.94 -56.06 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.684 ' HE3' ' HA ' ' A' ' 67' ' ' PHE . 9.6 ptp -53.32 -38.15 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.07 92.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -67.08 -30.82 70.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.8 -23.86 67.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.771 0.238 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 110' ' ' PHE . 3.7 p -112.15 154.73 25.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -35.38 -46.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.591 ' CE1' ' SG ' ' A' ' 113' ' ' CYS . 12.7 t80 -64.5 -44.66 90.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 107' ' ' SER . 27.6 t80 -63.06 -44.3 96.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.5 mt -56.16 -61.97 2.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.557 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 0.6 OUTLIER -50.16 -45.65 53.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.591 ' SG ' ' CE1' ' A' ' 109' ' ' PHE . 89.8 m -61.96 -42.7 99.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 t -67.29 -8.52 32.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -99.3 -35.02 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.459 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 2.8 m-85 -86.6 -34.97 19.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.615 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 7.9 ttt180 -35.51 -53.29 1.32 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.1 Cg_endo -69.73 -31.81 19.9 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 116' ' ' TYR . 0.0 OUTLIER -74.78 -24.99 58.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.666 ' CD1' HG13 ' A' ' 132' ' ' VAL . 47.2 pt -97.53 -33.46 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.43 ' N ' HG13 ' A' ' 120' ' ' ILE . 35.9 ttpt -60.63 -54.07 49.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -56.28 -24.74 46.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -85.18 -51.28 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.385 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -111.62 88.68 9.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -11.74 31.43 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.258 . . . . 0.0 112.36 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -80.11 -43.4 9.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.51 HD13 ' HD3' ' A' ' 135' ' ' LYS . 92.6 mt -56.87 135.89 55.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.9 t -109.33 176.98 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 39.0 mt -44.75 -41.36 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.11 -58.65 9.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 132' ' ' VAL . 66.1 m-20 -65.22 -61.28 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.666 HG13 ' CD1' ' A' ' 120' ' ' ILE . 43.4 t -33.85 -50.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.6 -49.59 61.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 131' ' ' ASP . 1.4 tmtp? -53.38 -35.64 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.51 ' HD3' HD13 ' A' ' 127' ' ' LEU . 1.2 mptp? -68.96 -23.31 64.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.531 HD13 ' HB3' ' A' ' 113' ' ' CYS . 21.0 mt -93.01 -24.2 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.77 -43.09 96.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -70.26 -45.95 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 15.6 mtm -49.22 -46.11 45.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.557 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 2.1 t-105 -61.67 -40.01 93.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -63.49 -41.46 98.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -76.37 -34.36 58.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.4 m -52.84 129.82 31.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.6 145.14 52.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.72 -47.09 67.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -40.22 62.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.17 -22.47 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.537 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 43.7 mttt -86.86 2.56 48.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.505 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.0 tt0 -47.96 -59.45 5.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.706 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.5 Cg_endo -69.74 -18.3 37.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 112' ' ' PHE . 14.7 m-85 -84.06 -28.93 27.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -92.72 -55.21 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -45.76 -40.76 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.65 -47.53 63.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.877 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.29 -11.33 2.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -81.51 -69.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -46.43 -41.85 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.6 -36.68 84.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -70.69 -27.53 64.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -66.2 -47.89 72.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -64.8 -12.31 46.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.475 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 40.8 mtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.783 0.325 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -97.1 164.61 12.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.454 ' HB2' ' CH2' ' A' ' 56' ' ' TRP . 3.5 p -42.78 -43.68 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CE2' HG21 ' A' ' 27' ' ' VAL . 51.9 t80 -67.46 -58.0 5.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.06 -36.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 3.6 m-85 -86.78 -40.59 14.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -60.43 -28.58 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.61 HG21 ' CE2' ' A' ' 23' ' ' TYR . 62.0 t -78.88 -28.52 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -92.07 -20.1 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.1 m -84.74 -54.34 4.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.3 m -61.89 -20.42 63.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 8.9 ptm180 -86.45 -45.66 10.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 0.6 OUTLIER -66.56 -40.51 89.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.56 -41.36 85.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 37' ' ' LYS . 25.1 t60 -55.79 -60.4 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -41.81 -28.8 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -87.05 -33.24 19.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.0 mmpt? -71.72 -35.26 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.466 ' CD2' ' HB3' ' A' ' 37' ' ' LYS . 9.2 m-70 -155.52 105.07 2.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 110.856 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 54.1 Cg_endo -69.77 -44.14 2.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -53.76 -40.08 65.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.54 114.75 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' VAL . 5.0 t -95.97 49.71 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' SER . 2.8 p -37.87 137.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 23.2 m-20 -82.47 108.35 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 3.1 p90 -46.84 -21.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 t -86.61 -40.12 15.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 48' ' ' PHE . 8.5 pt-20 -72.99 -47.52 44.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.479 ' N ' ' CG ' ' A' ' 47' ' ' GLU . 30.8 t80 -52.53 -41.83 63.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' CYS . 16.1 t -63.5 -69.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -40.73 -25.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' SER . 11.2 tttt -82.21 -42.22 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' SER . 4.8 m -48.35 -29.42 3.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.5 t -61.85 -72.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -13.12 61.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' C ' HG22 ' A' ' 58' ' ' THR . 18.7 ttt-85 -85.31 -24.42 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.567 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 16.3 t-105 -81.66 -47.21 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -64.89 -45.5 85.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.433 HG22 ' C ' ' A' ' 55' ' ' ARG . 8.5 t -49.74 -37.4 29.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.7 mtm -52.53 161.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.5 m -103.75 155.86 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.5 -34.68 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -47.97 81.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.16 -31.61 72.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 87.8 mttt -82.02 -25.07 35.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -43.61 -65.86 1.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.435 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -51.7 -42.46 62.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.449 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 12.0 m-85 -64.2 -30.25 71.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -79.79 -36.49 37.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -72.65 -27.51 62.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.789 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.0 ptp -81.78 -27.55 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.58 -41.6 19.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 25.6 pttt -57.44 -38.01 73.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -76.66 -22.01 54.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.796 0.248 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 110' ' ' PHE . 25.5 p -111.36 160.38 17.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -35.31 -42.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.517 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 9.0 t80 -61.39 -46.81 88.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 107' ' ' SER . 17.3 t80 -61.32 -47.21 86.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.1 mt -54.55 -46.58 73.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 113' ' ' CYS . 1.1 t80 -67.83 -60.32 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.547 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.5 p -50.81 -30.4 14.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.2 t -83.3 -27.81 29.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.445 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -81.31 -27.11 35.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.551 ' CD2' ' HD3' ' A' ' 119' ' ' LYS . 3.1 m-85 -93.33 -31.42 14.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.626 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 6.9 ttt180 -36.0 -53.31 1.54 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.4 Cg_endo -69.77 -32.96 17.51 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.26 . . . . 0.0 112.33 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.551 ' HD3' ' CD2' ' A' ' 116' ' ' TYR . 6.3 ptmt -74.57 -23.07 58.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.569 ' CD1' HG13 ' A' ' 132' ' ' VAL . 45.5 pt -96.14 -34.76 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.467 ' N ' HG13 ' A' ' 120' ' ' ILE . 0.0 OUTLIER -57.38 -53.91 52.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.793 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -56.43 -36.48 70.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -71.75 -44.25 64.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.509 ' CB ' HD12 ' A' ' 127' ' ' LEU . 17.0 m-70 -115.24 89.8 22.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.59 0.709 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -18.15 37.06 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.262 . . . . 0.0 112.34 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -78.06 -45.03 10.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.713 HD22 ' HB3' ' A' ' 131' ' ' ASP . 72.4 mt -56.53 130.19 44.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' ILE . 77.6 p -106.23 170.06 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.81 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' SER . 94.2 mt -35.22 -45.36 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -58.69 -61.56 7.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.713 ' HB3' HD22 ' A' ' 127' ' ' LEU . 30.5 m-20 -65.62 -58.45 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 120' ' ' ILE . 93.5 t -35.3 -39.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.36 -44.18 62.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 131' ' ' ASP . 5.9 mmmm -61.16 -19.01 61.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -85.01 -25.56 27.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.554 HD21 HD13 ' A' ' 120' ' ' ILE . 7.3 mt -92.81 -20.49 20.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.33 -39.4 95.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -80.0 -44.01 20.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 4.5 mtt -42.14 -47.51 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.517 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 4.7 t-105 -63.91 -46.87 82.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -52.91 -34.26 54.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -102.28 31.51 3.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 45.9 m -107.73 134.67 50.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.43 140.81 46.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -51.45 -39.17 56.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -37.37 73.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -69.59 -19.51 63.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 152' ' ' GLU . 64.7 mttt -90.73 2.64 55.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.513 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.1 tt0 -48.63 -59.24 6.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.8 Cg_endo -69.76 -27.32 26.61 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -80.95 -20.54 41.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 148' ' ' LYS . 8.8 mt-10 -93.29 -54.45 3.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 86.7 mttt -54.28 -48.87 70.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -55.68 -57.02 13.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -38.66 -38.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -51.67 -64.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -41.3 -61.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 79.7 mt -45.0 -40.92 6.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -44.27 -40.55 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -50.36 -48.74 55.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -51.51 -29.5 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 55.4 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.56 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 34.2 mtp . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -71.23 166.66 21.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.3 p -43.28 -52.17 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.612 ' O ' HG23 ' A' ' 27' ' ' VAL . 67.9 t80 -66.33 -57.39 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.43 -42.87 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 2.3 m-85 -77.58 -61.59 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.454 ' CE1' ' SD ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -40.74 -48.5 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' TYR . 81.6 t -46.98 -38.8 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 6.6 tt0 -88.18 -41.66 12.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 m -47.28 -37.76 11.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.7 m -77.02 -48.62 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.523 HH21 HG12 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -55.09 -33.44 62.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.842 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -75.01 -52.34 11.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -50.96 -40.21 57.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LYS . 20.7 t60 -60.91 -69.79 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' HIS . 2.3 mptm? -36.36 -32.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -73.5 -49.51 26.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 34' ' ' HIS . 52.2 mmtt -66.56 -43.98 83.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 13.8 m-70 -134.17 94.03 18.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.588 0.709 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.9 Cg_endo -69.69 -47.34 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.734 2.289 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -59.84 -38.46 82.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.57 132.47 21.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 t -100.88 99.8 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 43' ' ' VAL . 9.9 p -94.97 117.79 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 11.2 m-80 -63.84 151.88 41.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -76.94 -39.3 51.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 t -72.7 -40.22 66.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 48' ' ' PHE . 9.4 pt-20 -62.14 -46.17 90.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.498 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 5.1 t80 -66.18 -32.79 74.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 t -72.37 -62.98 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -50.32 -37.11 35.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' SER . 30.1 mttp -71.69 -56.52 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' LYS . 4.8 m -36.37 -30.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' LYS . 35.8 t -65.57 -71.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.45 -22.52 65.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -80.56 -29.31 37.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.467 ' CZ2' ' HD3' ' A' ' 64' ' ' LYS . 13.5 t-105 -76.2 -40.13 52.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -66.91 -45.2 78.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.8 t -58.2 -35.33 71.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.454 ' SD ' ' CE1' ' A' ' 26' ' ' PHE . 28.1 mtp -50.43 127.87 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.5 p -65.77 165.02 13.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.41 -38.7 69.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.492 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 33.0 pttt -60.89 -38.26 85.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.492 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 6.6 mm-40 -69.08 -42.48 76.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' HD3' ' CZ2' ' A' ' 56' ' ' TRP . 79.0 mttt -72.26 -34.48 68.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -39.61 -71.57 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.441 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -43.77 -52.72 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 23.2 m-85 -52.32 -42.37 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.87 -48.15 82.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.04 -39.48 78.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.4 mtm -66.73 -55.44 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.16 -51.36 68.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 25.7 pttt -59.58 -43.84 93.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.469 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -61.81 -39.28 91.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.064 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.405 ' HB3' ' CD2' ' A' ' 110' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.778 0.241 . . . . 0.0 112.308 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.85 165.84 12.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.51 -45.53 3.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.534 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 19.6 t80 -58.64 -42.68 88.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' A' ' 114' ' ' SER . 25.7 t80 -68.81 -45.81 70.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.99 -37.09 78.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.585 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -74.1 -56.73 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.723 ' HB2' HD13 ' A' ' 136' ' ' LEU . 4.9 p -61.43 -31.2 71.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 84.5 p -69.06 -24.15 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -95.51 -21.95 17.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.575 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.2 m-85 -89.22 -36.65 15.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.638 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 15.9 ttp180 -41.34 -52.21 7.81 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.72 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.5 Cg_endo -69.81 -19.99 35.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.316 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -81.14 -46.79 14.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 121' ' ' LYS . 11.6 pt -75.77 -44.11 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.166 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.482 ' CD ' ' HA ' ' A' ' 118' ' ' PRO . 17.0 ptmt -40.09 -37.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.446 ' N ' ' HG3' ' A' ' 121' ' ' LYS . . . -78.98 -49.66 6.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.532 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -55.64 -42.8 75.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.42 ' HB2' HD12 ' A' ' 127' ' ' LEU . 37.2 m-70 -113.42 96.97 41.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.7 Cg_endo -69.77 -18.36 37.01 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -78.07 -47.86 8.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.563 ' HB3' HG22 ' A' ' 132' ' ' VAL . 41.2 mt -48.65 116.19 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.326 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.496 ' O ' HG23 ' A' ' 132' ' ' VAL . 1.0 OUTLIER -89.07 166.5 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 128' ' ' SER . 34.6 mt -36.95 -48.1 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.33 -65.96 2.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 132' ' ' VAL . 0.9 OUTLIER -48.57 -59.26 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 127' ' ' LEU . 93.0 t -35.04 -56.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.552 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -55.95 -53.72 53.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 134' ' ' LYS . 0.9 OUTLIER -50.51 -30.68 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 138' ' ' GLU . 3.9 tppp? -68.26 -33.48 74.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.723 HD13 ' HB2' ' A' ' 113' ' ' CYS . 8.6 mt -75.84 -15.64 60.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.91 -47.76 89.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 139' ' ' MET . 2.2 pm0 -78.94 -35.38 43.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.435 ' N ' ' HG2' ' A' ' 138' ' ' GLU . 2.9 mtt -46.3 -45.32 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.585 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 2.0 t-105 -68.99 -44.95 71.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -53.87 -45.96 71.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -70.31 -40.02 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.3 m -50.55 140.0 14.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -84.95 150.07 25.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -49.17 -46.11 44.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -47.14 -52.4 15.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.54 -24.15 44.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.569 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 53.7 mttt -91.12 18.33 6.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.549 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.9 tt0 -67.34 -57.55 10.41 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.77 -33.33 16.75 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.373 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -68.17 -38.42 82.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 153' ' ' LYS . 58.3 mt-10 -78.54 -63.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 152' ' ' GLU . 43.9 mmtt -37.81 -58.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -50.87 -55.98 14.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.68 -45.41 58.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -45.69 -52.94 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -48.63 -57.8 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 159' ' ' LYS . 16.0 mt -47.19 -52.31 16.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 158' ' ' LEU . 18.8 ttpp -37.71 -54.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -38.46 -58.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -49.04 -46.28 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 4.9 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.926 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.518 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 23.5 mtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.773 0.321 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 m -89.7 177.23 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.445 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 3.5 m -47.52 -55.42 9.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.486 ' CE2' HG21 ' A' ' 27' ' ' VAL . 48.2 t80 -60.56 -62.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 23' ' ' TYR . . . -35.44 -42.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.102 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 5.7 m-85 -77.97 -60.93 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -41.57 -49.7 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.486 HG21 ' CE2' ' A' ' 23' ' ' TYR . 81.5 t -47.08 -36.97 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.164 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.61 -31.51 16.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.9 m -58.97 -22.49 60.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.1 m -93.09 -34.58 13.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 2.5 ptp180 -67.2 -38.41 85.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 45.6 mt-10 -69.89 -44.69 69.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -58.14 -41.04 82.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 37' ' ' LYS . 10.1 t60 -62.56 -60.66 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -42.27 -28.02 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -81.74 -41.04 21.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.2 mmpt? -66.68 -39.33 88.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -153.84 105.99 2.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.693 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -53.87 -42.18 68.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.834 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -38.06 102.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -81.4 49.17 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -42.98 145.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 47' ' ' GLU . 6.6 m-80 -82.89 103.59 12.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.479 ' CG ' ' N ' ' A' ' 46' ' ' SER . 8.0 p90 -48.83 -44.75 39.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 80.6 p -58.05 -39.8 79.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 44' ' ' ASN . 21.3 mm-40 -73.76 -39.88 63.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -58.42 -17.12 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 t -84.54 -63.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -27.94 35.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -73.1 -55.69 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.2 m -41.1 -32.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -60.03 -70.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.19 -17.93 65.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -82.82 -27.55 30.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.495 ' CE2' ' HE2' ' A' ' 64' ' ' LYS . 9.8 t-105 -79.09 -45.95 19.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -64.59 -45.58 86.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 59' ' ' MET . 8.7 t -55.46 -43.0 75.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.441 ' N ' HG23 ' A' ' 58' ' ' THR . 7.3 mtm -41.96 130.65 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.466 ' HB3' ' CD ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -60.33 170.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.81 -53.31 59.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.541 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -52.92 -32.85 47.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.541 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 3.7 mm-40 -71.19 -32.42 68.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 72.8 mttt -81.68 -39.24 24.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -38.02 -69.58 0.33 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -43.15 -51.44 5.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.5 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 13.8 m-85 -55.62 -40.96 72.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -59.27 -34.43 72.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -75.23 -40.32 59.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.5 mtm -64.25 -49.81 70.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.445 ' HB2' ' HA ' ' A' ' 22' ' ' SER . . . -60.56 -52.63 64.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -34.04 73.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.72 82.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.448 ' OD1' ' C ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.802 0.251 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.3 p -102.28 166.52 10.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.52 -40.9 39.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.472 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 10.8 t80 -59.69 -45.51 91.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.91 -47.11 87.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 66.7 mt -61.05 -40.76 94.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.633 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -68.26 -55.72 11.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.754 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.4 p -63.33 -30.86 71.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -69.41 -22.76 63.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -99.22 -15.53 18.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -95.1 -36.41 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.58 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 2.6 ttm180 -46.16 -55.86 12.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.4 Cg_endo -69.77 -4.62 14.4 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 120' ' ' ILE . 5.0 ttmm -98.08 -58.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.62 ' CD1' HG13 ' A' ' 132' ' ' VAL . 22.7 pt -62.4 -36.02 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.548 ' HB3' ' HZ2' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -56.89 -53.45 57.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.808 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -60.12 -48.65 85.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -61.27 -41.49 97.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.854 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.453 ' HB2' HD12 ' A' ' 127' ' ' LEU . 96.8 m-70 -115.95 94.76 42.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.708 . . . . 0.0 110.837 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.8 Cg_endo -69.79 -29.81 23.14 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.234 . . . . 0.0 112.309 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -56.05 -50.56 60.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.453 HD12 ' HB2' ' A' ' 124' ' ' HIS . 38.9 mt -51.6 -174.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 129' ' ' ILE . 8.1 t -165.5 169.36 15.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 128' ' ' SER . 53.9 mt -34.32 -41.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.29 -62.49 3.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 132' ' ' VAL . 0.8 OUTLIER -60.06 -59.36 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.843 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.62 HG13 ' CD1' ' A' ' 120' ' ' ILE . 96.7 t -34.61 -54.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.52 -59.77 3.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.054 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -35.14 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -61.38 -39.65 91.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.754 HD13 ' HB2' ' A' ' 113' ' ' CYS . 25.9 mt -82.47 -24.32 34.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.59 -41.26 99.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 139' ' ' MET . 6.8 pt-20 -85.76 -35.43 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.444 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 52.7 mtp -52.11 -58.72 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.633 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 8.6 t-105 -52.93 -46.03 67.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -52.84 -41.77 64.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -97.6 40.49 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.436 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 26.2 m -114.43 138.76 50.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.4 161.83 25.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.73 84.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.65 -51.88 58.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.436 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 29.7 t0 -57.66 -19.14 24.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.473 ' NZ ' ' CE2' ' A' ' 140' ' ' TRP . 53.7 mttm -98.87 15.93 23.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.536 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.0 tt0 -64.0 -58.15 15.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.565 0.697 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.78 -37.2 9.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 47.1 m-85 -65.7 -38.61 89.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -77.88 -64.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -38.67 -57.76 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -52.1 -53.45 42.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -44.61 -47.44 10.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -47.99 -45.78 32.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -60.97 -47.81 84.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 17.8 mt -49.57 -44.25 46.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -42.92 -55.87 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.77 -46.86 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -58.17 -32.59 68.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m 40.38 41.99 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 p -46.95 101.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.75 -82.62 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -74.38 172.52 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.882 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -172.3 137.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.62 -170.42 15.91 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -58.51 117.21 4.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.93 -94.89 0.1 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -164.99 136.84 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.58 -140.75 5.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -127.98 159.53 66.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -32.11 19.02 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.69 2.26 . . . . 0.0 112.358 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.95 -61.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -74.11 119.82 78.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.698 . . . . 0.0 110.914 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' CE2' ' A' ' 78' ' ' TYR . 53.6 Cg_endo -69.79 92.36 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -93.42 149.97 20.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 152.27 41.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 23.6 mtmt -104.85 115.38 30.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 42.0 mtp -111.79 148.54 33.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.6 p -95.33 -174.8 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 p -51.1 -55.66 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.48 ' CE2' HG21 ' A' ' 27' ' ' VAL . 43.8 t80 -59.19 -63.42 1.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.956 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -38.0 -33.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 5.3 m-85 -87.46 -39.36 15.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.6 OUTLIER -61.72 -46.81 88.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.48 HG21 ' CE2' ' A' ' 23' ' ' TYR . 58.3 t -53.86 -32.62 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -92.34 -14.16 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.5 m -79.61 -24.95 41.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.1 m -88.63 -39.12 14.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -65.31 -41.49 93.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.83 -42.53 90.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.6 -31.51 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LYS . 16.7 t60 -63.5 -55.5 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -39.4 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' HIS . 13.2 mmtp -81.95 -41.37 20.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' HIS . 23.9 mtmt -71.63 -44.73 63.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.767 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 42.5 m-70 -134.62 94.81 16.55 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.58 0.705 . . . . 0.0 110.816 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.6 Cg_endo -69.82 -50.77 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.303 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -90.62 31.72 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.767 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . . . -83.38 138.24 33.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.2 m -89.07 52.27 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 p -73.75 138.24 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -97.06 149.78 21.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -69.5 -43.2 73.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -65.35 -52.49 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -56.53 -34.47 67.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -77.32 -19.34 56.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.9 t -76.59 -67.75 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.797 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -47.47 -30.35 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -68.47 -53.04 26.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.472 ' SG ' HG13 ' A' ' 27' ' ' VAL . 57.7 m -49.7 -33.57 16.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -60.83 -71.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.442 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 11.9 pt-20 -63.99 -21.45 66.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.1 ttm-85 -78.79 -27.32 44.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.489 ' CE2' ' HE2' ' A' ' 64' ' ' LYS . 18.2 t-105 -79.04 -39.44 33.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 12.3 ptmm? -68.39 -48.3 65.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 59' ' ' MET . 11.7 t -55.25 -40.99 71.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.429 ' N ' HG23 ' A' ' 58' ' ' THR . 6.5 mtm -44.95 125.23 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.3 m -61.67 155.72 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.61 -46.94 10.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -52.84 -44.84 67.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.26 -41.98 97.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.489 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 68.0 mttt -68.44 -36.01 78.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -38.81 -70.5 0.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HE2' ' CE2' ' A' ' 67' ' ' PHE . 18.3 pttm -46.21 -48.23 17.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.4 ' CE2' ' HE2' ' A' ' 66' ' ' LYS . 34.3 m-85 -58.89 -27.77 65.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.66 -45.22 17.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -64.99 -35.11 80.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.9 ptp -75.31 -31.45 60.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.17 -46.22 61.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 20.9 pttt -60.29 -35.99 76.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.476 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -57.1 -30.84 64.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.07 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.0 -42.39 57.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -52.63 -16.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.98 -51.64 4.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.061 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -63.02 -20.98 65.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.508 ' CE2' ' HG3' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -75.73 -34.69 60.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -61.56 -29.99 70.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -46.37 -35.02 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.458 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . 5.1 mm-40 -67.91 -53.29 27.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.8 mmt -44.33 -37.15 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 84' ' ' THR . 6.5 tmtt? -54.34 -48.91 70.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.445 ' N ' ' HD3' ' A' ' 83' ' ' LYS . 81.9 p -69.72 -20.73 63.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -95.15 140.58 29.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.41 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 17.2 mt -124.23 98.42 38.63 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 111.179 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 86' ' ' ILE . 53.7 Cg_endo -69.74 170.05 17.45 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -174.97 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -93.9 128.15 40.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.04 49.48 0.36 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -88.0 134.31 33.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.967 0.413 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.0 p -104.61 110.92 23.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.158 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.444 ' N ' ' HD3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER 39.1 44.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 96' ' ' PHE . 20.3 mmtt -102.75 -179.55 4.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' LYS . 3.2 mptp? 35.34 31.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 94' ' ' LYS . 42.6 t80 -95.98 166.98 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -80.91 144.32 32.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -147.59 132.75 9.1 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -29.84 23.07 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.688 2.258 . . . . 0.0 112.303 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -70.79 -49.72 43.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.26 154.89 63.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 135.69 31.12 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -62.82 138.38 58.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.954 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -87.3 138.35 32.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 165.13 31.99 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.551 ' HB3' ' CD2' ' A' ' 110' ' ' PHE . 53.7 Cg_endo -69.72 163.99 36.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.9 m -119.98 173.3 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.99 -50.0 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.536 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 10.0 t80 -57.4 -43.66 83.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.551 ' CD2' ' HB3' ' A' ' 106' ' ' PRO . 45.1 t80 -66.92 -38.31 85.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.9 mt -67.71 -35.66 79.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.671 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 1.5 t80 -75.28 -55.72 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.714 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.7 p -60.54 -30.35 69.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 25.7 t -74.95 -38.8 61.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -78.97 -16.72 56.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -98.07 -25.17 15.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.636 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 16.7 ttp180 -52.28 -52.03 66.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.3 Cg_endo -69.76 -7.13 20.27 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -94.88 -51.5 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 25.3 pt -76.87 -35.45 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -54.8 -43.87 73.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -70.02 -39.06 74.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.494 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.84 -35.13 74.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -119.42 92.72 46.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.27 6.74 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -47.27 -45.63 21.46 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 131' ' ' ASP . 38.0 mt -56.94 178.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 129' ' ' ILE . 59.2 m -144.87 155.87 43.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' SER . 40.9 mt -34.16 -44.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.28 -64.58 3.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 132' ' ' VAL . 4.6 m-20 -54.82 -58.85 5.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 131' ' ' ASP . 91.3 t -34.61 -52.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.497 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -64.59 -48.7 73.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -56.26 -21.98 27.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -79.53 -30.44 41.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' ' 113' ' ' CYS . 11.6 mt -76.93 -19.33 57.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -54.67 -35.76 58.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -89.7 -37.06 14.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.63 ' SD ' HD23 ' A' ' 136' ' ' LEU . 92.0 mtp -51.08 -44.6 61.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.671 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 16.4 t-105 -64.26 -49.19 72.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -49.97 -42.04 47.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -72.63 -40.24 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 147' ' ' ASP . 94.9 m -42.61 138.35 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.95 146.44 37.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -49.54 -47.18 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.67 -45.88 58.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.409 ' HB2' ' CG2' ' A' ' 143' ' ' THR . 2.9 m-20 -59.54 -21.42 60.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.559 ' HG2' ' CZ2' ' A' ' 140' ' ' TRP . 77.2 mttt -91.52 7.61 40.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.52 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 1.6 tt0 -54.0 -58.89 11.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.75 -44.51 2.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.719 2.28 . . . . 0.0 112.364 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -57.97 -26.9 62.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -90.88 -62.25 1.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -40.82 -53.06 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -54.82 -56.67 16.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -44.98 -49.32 11.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -41.35 -53.04 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -50.69 -51.08 52.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 82.2 mt -53.54 -50.08 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -38.99 -47.81 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -41.25 -55.74 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -47.2 -43.93 21.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.446 ' O ' HG22 ' A' ' 166' ' ' ILE . 71.9 t80 -68.55 -52.9 26.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -53.36 -27.82 25.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -79.09 -42.22 26.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -68.15 -55.38 12.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 162' ' ' TYR . 7.5 tt -52.87 -38.29 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -41.54 -24.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 166' ' ' ILE . . . -90.96 -47.06 7.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -42.88 -51.65 5.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 170' ' ' ARG . 4.0 ptp180 -77.38 -47.51 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . 58.44 43.74 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -88.01 94.05 9.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.558 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -87.19 172.14 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.7 p -88.21 106.75 18.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.44 114.27 1.43 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p -38.72 149.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.1 p -79.49 -19.23 50.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 125.58 -153.23 18.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.558 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -35.48 143.85 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.1 -128.38 1.1 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -94.02 134.31 36.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.354 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.17 -41.6 2.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -42.15 136.3 2.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.64 34.49 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' LYS . 21.9 mtpp -49.54 -47.61 48.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' LYS . 14.1 ttpt -34.51 121.62 0.55 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.556 0.693 . . . . 0.0 110.862 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.491 ' CG ' ' SD ' ' A' ' 82' ' ' MET . 54.4 Cg_endo -69.72 124.55 11.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -90.73 135.57 33.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -173.07 -73.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HE3' ' CE1' ' A' ' 78' ' ' TYR . 8.0 pttp -54.72 164.9 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.298 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.616 ' HE3' ' CD1' ' A' ' 25' ' ' PHE . 19.1 mtm -160.13 164.41 32.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.0 m -81.72 172.6 13.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.4 m -48.65 -58.57 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.553 ' O ' HG23 ' A' ' 27' ' ' VAL . 70.5 t80 -60.67 -56.98 14.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.18 -40.96 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.616 ' CD1' ' HE3' ' A' ' 20' ' ' MET . 4.9 m-85 -77.08 -57.05 4.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.3 OUTLIER -46.5 -31.17 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 23' ' ' TYR . 62.5 t -66.08 -35.76 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -92.34 -24.79 18.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.1 m -65.93 -48.04 72.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.3 m -67.84 -52.42 37.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.58 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -51.98 -41.03 61.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.37 -55.79 10.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.42 -29.82 17.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 37' ' ' LYS . 70.2 t60 -64.22 -66.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 34' ' ' HIS . 1.7 mptp? -34.73 -34.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' HIS . 3.8 mmmm -75.94 -47.78 23.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 34' ' ' HIS . 21.9 mtmm -63.7 -42.96 97.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -134.57 94.49 17.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.713 . . . . 0.0 110.839 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.285 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.78 -40.42 79.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.57 117.44 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 m -102.93 83.49 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.7 p -73.69 136.1 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -74.66 157.78 34.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -74.52 -45.47 45.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.1 t -61.55 -46.62 89.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -60.37 -39.7 88.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 31' ' ' ARG . 8.6 t80 -67.39 -36.08 80.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.1 t -65.01 -64.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -46.77 -30.89 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -76.57 -53.53 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.0 m -44.27 -30.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.0 t -60.13 -71.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -70.44 -13.96 62.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -86.34 -22.62 26.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 12.8 t-105 -82.46 -46.79 13.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -64.42 -42.89 95.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.507 HG23 ' N ' ' A' ' 59' ' ' MET . 10.2 t -57.16 -46.43 82.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.507 ' N ' HG23 ' A' ' 58' ' ' THR . 11.1 mtm -39.04 135.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.3 t -66.92 162.87 20.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.75 -44.68 58.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -54.68 -52.05 63.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.08 -48.02 71.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 84.9 mttt -64.96 -38.35 90.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -36.93 -74.6 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.534 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -42.73 -44.96 4.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 29.7 m-85 -61.14 -36.89 80.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.45 -49.52 63.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -63.79 -62.52 1.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 18.8 ptp -48.33 -42.51 31.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.456 ' N ' ' HG3' ' A' ' 70' ' ' MET . . . -57.35 -45.07 84.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 75' ' ' LYS . 5.9 mtpm? -67.97 -60.88 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.13 -37.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.93 -40.73 98.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' LYS . 5.9 mtmp? -51.78 -36.01 45.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.59 -59.57 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 3.3 ppt_? -54.67 -24.27 21.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.805 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.497 ' CE1' ' HE3' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -70.65 -35.73 73.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -46.92 -43.8 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.457 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 40.3 mtp180 -38.94 -47.29 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.615 ' O ' HG22 ' A' ' 84' ' ' THR . 95.5 mt-10 -52.89 -44.16 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.491 ' SD ' ' CG ' ' A' ' 16' ' ' PRO . 59.8 mmm -49.14 -20.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -50.19 -33.63 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 81' ' ' GLU . 8.9 t -92.0 -25.97 18.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.488 ' CG ' ' HD3' ' A' ' 16' ' ' PRO . 46.2 t80 -83.37 140.36 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.9 mt -127.03 98.48 30.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 167.53 24.12 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.735 2.29 . . . . 0.0 112.374 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 176.19 7.12 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.685 2.257 . . . . 0.0 112.4 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -90.93 91.38 8.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -128.23 -151.53 7.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.68 45.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.931 0.396 . . . . 0.0 110.896 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.4 t -106.43 159.88 15.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -94.36 121.36 35.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -94.32 145.99 24.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -149.5 119.76 7.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -81.06 131.9 35.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -113.07 172.68 6.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -121.79 80.89 41.15 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.653 0.739 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -32.77 18.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -62.76 -46.84 86.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.59 143.22 90.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 174.88 8.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 154.72 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -81.55 135.96 49.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.0 19.98 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 164.61 33.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' ALA . 19.4 m -116.2 170.3 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 151' ' ' TYR . . . -36.99 -56.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.524 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 18.7 t80 -50.22 -66.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -45.29 -44.45 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.6 mt -55.65 -53.36 57.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.562 ' HB2' ' CE2' ' A' ' 151' ' ' TYR . 1.3 t80 -61.92 -59.91 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.699 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.2 p -51.43 -36.42 43.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.0 t -71.59 -25.93 62.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.445 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.1 OUTLIER -86.24 -20.17 28.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.86 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -99.98 -23.12 15.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.638 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 8.3 ttp180 -49.81 -51.91 56.32 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 110.812 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.4 Cg_endo -69.76 -12.94 33.91 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.68 2.253 . . . . 0.0 112.294 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -90.63 -39.75 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 121' ' ' LYS . 13.9 pt -87.41 -47.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.475 ' N ' HG13 ' A' ' 120' ' ' ILE . 0.2 OUTLIER -48.05 -46.5 33.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.841 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -63.62 -38.45 96.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -68.64 -39.87 80.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.706 ' HB2' HD12 ' A' ' 127' ' ' LEU . 72.5 m-70 -110.4 92.92 14.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -2.29 9.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -96.25 -37.51 4.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.706 HD12 ' HB2' ' A' ' 124' ' ' HIS . 20.3 mt -60.23 126.75 28.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 129' ' ' ILE . 5.2 t -103.8 167.28 9.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 128' ' ' SER . 62.2 mt -34.32 -45.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.93 -65.86 2.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.5 ' HB3' HD23 ' A' ' 127' ' ' LEU . 1.3 m-20 -54.13 -57.41 11.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.436 ' CG2' ' HB3' ' A' ' 127' ' ' LEU . 75.6 t -39.29 -41.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.61 -52.85 63.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.71 -30.94 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -67.25 -30.28 70.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.699 HD13 ' HB2' ' A' ' 113' ' ' CYS . 9.0 mt -83.69 -41.64 17.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -48.49 -47.66 28.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -71.53 -47.51 54.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 7.9 mtm -48.01 -45.32 31.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.524 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 2.0 t-105 -65.57 -39.97 92.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -66.72 -25.33 66.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -107.93 36.45 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 12.8 m -119.22 129.48 54.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.28 142.2 58.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.95 -27.6 19.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.36 -48.03 81.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -10.76 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 149' ' ' GLN . 58.1 mttt -100.2 -23.8 14.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.515 ' HG3' ' CD ' ' A' ' 153' ' ' LYS . 4.7 tt0 -32.15 -58.81 0.4 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.71 -44.91 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.591 ' HB3' ' HB1' ' A' ' 108' ' ' ALA . 10.5 m-85 -53.15 -35.7 60.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -87.0 -63.96 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.515 ' CD ' ' HG3' ' A' ' 149' ' ' GLN . 4.8 mtpm? -43.96 -40.22 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -70.72 -49.56 45.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.33 -40.05 47.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -51.29 -44.23 61.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -58.64 -51.22 70.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.5 mt -47.84 -44.39 29.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.98 -38.91 39.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -50.13 -41.82 49.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -64.08 -21.63 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.442 ' O ' HG22 ' A' ' 166' ' ' ILE . 40.3 t80 -85.63 -51.47 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -53.04 -38.0 62.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -40.77 68.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -65.24 -48.66 72.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 162' ' ' TYR . 7.1 tt -67.98 -23.68 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -58.76 -37.43 76.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -84.38 -33.96 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -46.49 -57.84 4.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -66.75 -40.7 88.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -161.66 106.63 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -41.87 131.63 3.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.936 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -48.68 163.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -85.48 96.73 9.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.59 -78.11 0.55 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -169.8 151.85 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -132.14 107.25 8.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.73 168.96 24.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.9 mmt -63.71 -48.65 76.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.72 81.26 0.91 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -101.79 -60.55 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.47 87.36 0.53 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -127.69 149.11 69.47 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.627 0.727 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -1.37 8.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -86.89 -48.11 8.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -78.07 119.17 76.32 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.575 0.702 . . . . 0.0 110.929 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 109.84 2.41 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -98.89 42.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.99 -56.83 21.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 9.4 mtmp? -43.99 113.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.683 ' CE ' ' CE1' ' A' ' 25' ' ' PHE . 6.2 mtm -118.14 155.42 30.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -84.93 165.62 17.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.9 p -47.88 -40.0 20.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.69 ' O ' HG23 ' A' ' 27' ' ' VAL . 69.7 t80 -69.24 -54.81 12.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.49 -35.75 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.07 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.683 ' CE1' ' CE ' ' A' ' 20' ' ' MET . 5.8 m-85 -85.04 -43.71 13.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.56 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -56.38 -25.24 48.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 23' ' ' TYR . 47.2 t -82.3 -34.28 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 27.9 tt0 -70.31 -33.52 71.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.69 -33.28 53.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 m -77.19 -34.7 56.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 7.5 ptp180 -68.61 -36.03 78.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 4.2 pt-20 -75.44 -49.53 18.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 40.0 mm-40 -44.9 -36.33 3.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -67.59 -60.51 2.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -42.91 -24.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -78.41 -46.97 18.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -65.94 -44.86 83.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 18.1 m-70 -129.45 94.32 33.08 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.832 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 54.1 Cg_endo -69.7 -44.13 2.3 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.79 -36.84 83.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.93 125.75 27.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.0 t -111.12 103.54 11.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.7 p -83.21 142.47 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -78.16 168.98 19.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -81.17 -54.79 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.7 m -57.3 -44.47 84.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -64.63 -35.7 81.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' A' ' 31' ' ' ARG . 18.1 t80 -80.78 -26.51 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.5 t -71.62 -45.5 61.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -60.49 -27.0 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -77.52 -58.7 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.6 m -50.36 -27.12 5.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.2 m -65.64 -72.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 58' ' ' THR . 22.3 mt-10 -63.67 -15.72 59.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.411 ' HA ' HG22 ' A' ' 58' ' ' THR . 11.3 ttm-85 -87.76 -23.12 24.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.503 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 18.0 t-105 -82.74 -39.82 21.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -71.85 -33.73 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 54' ' ' GLU . 9.9 t -75.76 -7.38 54.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.442 ' HE2' ' CE3' ' A' ' 56' ' ' TRP . 8.0 mtp -79.18 126.64 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.8 m -63.19 156.49 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.19 -27.05 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -66.78 -52.53 43.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -57.84 -31.38 66.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.462 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 59.9 mttt -84.87 -31.47 23.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -41.98 -58.17 3.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.509 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -52.71 -51.8 58.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.325 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 41.0 m-85 -55.09 -41.72 71.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.38 -42.96 78.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -65.46 -49.91 67.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.8 mtm -59.63 -60.07 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -42.72 -46.17 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -58.24 -49.35 77.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.48 -37.98 18.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.35 -31.36 71.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -60.81 -15.97 35.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -98.79 -53.36 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -61.22 -20.23 62.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.532 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 10.7 t80 -71.02 -41.4 70.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -42.69 -36.7 1.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -63.42 -52.88 59.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -51.31 -26.21 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 35.9 tpp -79.4 -29.5 42.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -54.31 -24.09 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 48.5 p -92.99 -19.77 21.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -68.12 129.52 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.6 mt -123.1 101.82 38.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.586 0.708 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 154.96 67.33 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.695 2.264 . . . . 0.0 112.364 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 168.89 20.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -70.75 96.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -140.07 -77.97 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.39 159.93 28.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.976 0.417 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.9 m -123.84 128.09 49.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -159.69 162.33 35.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -99.06 145.84 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -91.6 176.5 6.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -163.24 135.88 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -148.81 134.19 18.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -124.05 86.59 53.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.576 0.703 . . . . 0.0 110.874 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -43.79 2.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.326 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -45.8 -44.57 14.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' A' ' 102' ' ' PRO . . . -41.28 155.89 0.21 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.576 0.703 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 101' ' ' ALA . 53.9 Cg_endo -69.74 164.25 35.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.495 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 11.4 mmmm -93.94 166.53 12.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -90.4 143.11 28.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.548 0.689 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 164.79 33.23 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -178.97 2.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.1 p -125.98 168.08 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.41 -45.02 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.558 ' CZ ' ' SG ' ' A' ' 113' ' ' CYS . 11.6 t80 -59.58 -62.83 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -44.84 -40.12 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.03 -66.14 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.587 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -49.82 -50.09 46.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.632 ' HA ' HD22 ' A' ' 136' ' ' LEU . 58.5 m -56.03 -52.61 63.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.2 t -67.1 -8.01 27.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -102.07 -26.29 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -98.69 -18.83 17.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.647 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 10.3 ttp180 -53.98 -52.11 71.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.607 0.718 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.74 -14.74 36.57 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.733 2.289 . . . . 0.0 112.358 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -87.63 -38.47 15.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.504 HD11 HG13 ' A' ' 132' ' ' VAL . 23.6 pt -85.91 -37.44 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.443 ' CD ' ' HA ' ' A' ' 118' ' ' PRO . 15.9 ptmt -44.5 -32.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -85.09 -27.86 32.67 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -73.97 -50.62 19.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.779 ' HB2' HD12 ' A' ' 127' ' ' LEU . 28.4 m-70 -111.9 89.24 11.13 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.539 0.685 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -39.34 6.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.325 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -49.32 -40.75 30.75 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 124' ' ' HIS . 32.8 mt -58.08 -175.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 129' ' ' ILE . 1.4 t -160.05 160.69 33.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 128' ' ' SER . 75.4 mt -35.61 -36.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.61 -53.4 20.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.478 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.443 ' HB3' HD22 ' A' ' 127' ' ' LEU . 10.3 m-20 -71.15 -56.82 5.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.504 HG13 HD11 ' A' ' 120' ' ' ILE . 18.8 t -37.32 -54.82 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.428 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -45.81 -48.22 15.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -60.95 -27.58 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -72.91 -30.58 64.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.632 HD22 ' HA ' ' A' ' 113' ' ' CYS . 13.3 mt -77.89 -19.74 54.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.28 -62.4 4.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 138' ' ' GLU . 6.4 pm0 -64.99 -39.08 92.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 31.0 mmm -48.82 -30.7 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.587 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 4.9 t-105 -79.74 -41.23 27.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -62.98 -33.63 75.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -80.5 -39.53 27.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 22.9 m -45.13 140.79 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.12 151.11 31.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.83 -38.27 75.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.07 -33.58 70.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.54 -17.38 60.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.4 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 66.7 mttt -95.62 11.22 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.519 ' HG3' ' CD ' ' A' ' 153' ' ' LYS . 5.6 tt0 -55.6 -59.49 11.17 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.2 Cg_endo -69.72 -36.66 10.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.736 2.291 . . . . 0.0 112.375 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.485 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 58.3 m-85 -64.04 -42.82 96.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -79.03 -45.47 20.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.519 ' CD ' ' HG3' ' A' ' 149' ' ' GLN . 5.4 mtpm? -61.05 -51.3 69.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -57.62 -53.44 58.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -47.38 -35.7 8.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -57.41 -34.12 68.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -66.77 -52.63 41.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.1 mt -45.42 -50.26 12.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -41.47 -37.41 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -64.43 -50.4 67.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -54.2 -21.31 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.495 ' CD1' ' O ' ' A' ' 103' ' ' LYS . 56.4 t80 -87.64 -54.92 4.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 167' ' ' ALA . 23.9 mt-10 -52.49 -31.43 35.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 165' ' ' ASP . 0.0 OUTLIER -77.63 -44.15 29.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . 0.461 ' N ' ' HD3' ' A' ' 164' ' ' LYS . 42.5 m-20 -64.67 -39.35 93.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.499 HG23 ' N ' ' A' ' 167' ' ' ALA . 7.5 tt -77.58 -43.69 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.499 ' N ' HG23 ' A' ' 166' ' ' ILE . . . -50.48 -28.5 8.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -97.13 -23.17 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -55.88 -49.07 74.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 10.0 ptt85 -82.65 -31.59 28.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -122.11 96.1 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 47.42 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.514 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -137.58 155.43 49.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.846 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -97.8 128.81 44.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.74 140.23 34.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p -77.71 81.38 4.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.847 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -74.22 169.5 17.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.87 94.7 0.23 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -154.51 144.04 21.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.6 143.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.76 136.93 38.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.79 -55.08 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -107.95 149.55 39.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -8.76 24.43 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -60.18 -51.35 69.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -71.62 118.74 69.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.571 0.701 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 129.88 18.37 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -97.7 176.3 5.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' LYS . . . 156.51 -52.77 0.42 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.495 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' GLY . 9.4 mtmp? -37.1 141.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.447 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 26.1 mtp -132.31 146.07 51.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.1 m -87.87 174.44 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.7 m -43.89 -58.8 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.649 ' CE2' HG21 ' A' ' 27' ' ' VAL . 35.3 t80 -57.86 -63.1 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' TYR . . . -33.82 -38.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.066 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 5.5 m-85 -83.0 -54.22 5.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.544 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -47.04 -43.71 20.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.649 HG21 ' CE2' ' A' ' 23' ' ' TYR . 53.4 t -58.41 -28.2 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.467 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 6.1 tt0 -92.33 -28.48 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.3 m -68.69 -38.9 80.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 77.1 m -76.49 -51.74 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' NE ' ' HA ' ' A' ' 28' ' ' GLN . 4.7 ptp180 -47.77 -41.04 22.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.39 -38.09 89.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -56.43 -39.4 73.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -68.35 -57.93 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -44.29 -29.04 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -78.67 -45.81 20.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -64.97 -43.73 91.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 15.8 m-70 -134.55 94.4 17.24 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.547 0.689 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.2 Cg_endo -69.77 -35.73 12.08 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.74 2.293 . . . . 0.0 112.344 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -71.04 -37.19 72.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.34 119.08 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -90.59 99.36 12.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.406 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 11.8 p -101.45 135.95 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -83.72 169.46 15.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -90.96 -45.43 8.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -67.65 -23.1 65.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.567 ' CD ' ' N ' ' A' ' 48' ' ' PHE . 1.7 pp20? -83.37 -45.45 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.567 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 23.0 t80 -63.3 -20.32 65.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.0 t -65.76 -47.74 74.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -57.55 -20.73 33.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -86.56 -50.01 7.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.545 ' SG ' HG13 ' A' ' 27' ' ' VAL . 54.2 m -55.63 -35.17 65.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -71.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.483 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 14.4 pt-20 -59.05 -19.62 45.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -81.46 -23.95 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.497 ' CE2' ' HE2' ' A' ' 64' ' ' LYS . 70.4 t-105 -86.55 -30.85 21.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 6.2 ptmm? -76.6 -29.76 56.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.0 t -76.24 -35.32 59.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.6 mtm -61.9 146.34 50.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -103.81 179.08 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.55 -25.84 11.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.168 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -60.99 -42.17 97.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -87.85 -53.11 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.497 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 68.9 mttt -52.13 -36.51 51.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.96 -73.62 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -46.92 -37.62 9.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.328 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 25.3 m-85 -68.01 -30.44 69.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -72.32 -50.5 26.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -62.35 -51.7 66.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 ptp -54.87 -37.02 65.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.82 -34.53 78.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -73.88 -30.43 62.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.52 91.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -25.39 54.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -28.86 28.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -88.59 -60.12 2.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -49.36 -25.65 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -77.32 -44.81 28.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -48.85 -34.38 12.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.403 ' NH1' ' HB3' ' A' ' 103' ' ' LYS . 26.0 mmt85 -42.39 -54.59 3.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -57.78 -54.41 47.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.473 ' O ' ' N ' ' A' ' 85' ' ' TYR . 55.5 tpp -49.8 -32.98 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -41.54 -43.36 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.7 p -70.42 -30.96 67.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.473 ' N ' ' O ' ' A' ' 82' ' ' MET . 6.8 t80 -66.24 143.15 57.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 21.8 mt -131.77 114.08 15.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 111.17 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 168.36 21.74 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.729 2.286 . . . . 0.0 112.332 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -174.6 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.688 2.258 . . . . 0.0 112.393 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -41.11 -28.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.21 124.68 31.46 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -112.45 149.72 32.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 33.0 m -151.68 142.7 23.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -89.13 121.91 31.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -143.73 144.19 31.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -46.97 174.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -134.32 151.92 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 12.7 tppt? -127.61 153.51 46.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 4.5 m-20 -80.89 115.6 56.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.591 0.71 . . . . 0.0 110.837 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -34.99 13.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.331 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 101' ' ' ALA . 1.6 m-20 -43.97 -62.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 100' ' ' ASN . . . -36.01 141.82 0.32 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.615 0.722 . . . . 0.0 111.076 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 164.16 35.56 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.65 2.233 . . . . 0.0 112.368 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.441 ' HE3' ' C ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -132.39 174.9 9.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.48 ' HD3' ' N ' ' A' ' 104' ' ' ARG . 1.4 mpp_? -73.94 142.65 79.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 169.89 17.88 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 153.92 68.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.774 2.316 . . . . 0.0 112.329 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.1 p -94.9 159.21 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.69 -32.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.457 ' HB2' ' NE1' ' A' ' 140' ' ' TRP . 16.1 t80 -67.21 -49.17 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -59.47 -22.12 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 88.8 mt -82.15 -48.57 11.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.606 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -68.82 -48.65 63.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.421 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.7 p -61.78 -29.34 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.8 t -82.61 -12.99 57.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -97.11 -35.92 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.442 ' CD2' ' HD3' ' A' ' 119' ' ' LYS . 3.0 m-85 -83.73 -25.44 30.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.648 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 3.2 ttm180 -40.0 -52.11 5.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.589 0.709 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.9 Cg_endo -69.74 -36.12 11.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.442 ' HD3' ' CD2' ' A' ' 116' ' ' TYR . 8.1 ptmt -72.05 -23.64 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.61 HD13 HD21 ' A' ' 136' ' ' LEU . 36.4 pt -95.89 -37.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 120' ' ' ILE . 1.1 tmmt? -53.02 -43.92 66.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -71.91 -47.67 30.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.447 ' OE1' ' CA ' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -55.04 -42.74 73.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.731 ' HB2' HD12 ' A' ' 127' ' ' LEU . 86.2 m-70 -116.34 93.14 38.75 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.578 0.704 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.3 Cg_endo -69.79 -21.54 33.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.316 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.42 -43.02 21.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.731 HD12 ' HB2' ' A' ' 124' ' ' HIS . 92.1 mt -51.34 126.05 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 129' ' ' ILE . 98.1 p -98.22 163.3 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' SER . 30.6 mt -35.16 -36.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -74.4 -57.69 4.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 0.6 OUTLIER -63.07 -53.68 49.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 131' ' ' ASP . 92.9 t -34.22 -52.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.4 -47.17 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 131' ' ' ASP . 11.7 tptm -53.71 -24.04 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.27 -39.98 64.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.61 HD21 HD13 ' A' ' 120' ' ' ILE . 4.5 mt -78.41 -24.56 46.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.79 -53.27 42.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.44 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.65 -47.8 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 90.7 mtp -49.4 -50.73 39.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.606 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 24.3 t-105 -59.02 -29.8 67.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -82.78 -25.52 32.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -106.62 29.15 7.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.413 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 3.8 m -114.99 133.28 56.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.4 155.23 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.99 -26.85 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.45 -40.19 90.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.413 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 5.1 t70 -69.87 -18.09 63.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -93.61 5.93 49.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.509 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.9 tt0 -51.83 -59.33 8.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.585 0.707 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.9 Cg_endo -69.74 -36.8 10.19 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 30.5 m-85 -66.17 -32.98 74.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.65 -53.82 4.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -47.43 -53.05 15.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -55.21 -53.52 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -45.67 -55.36 6.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -41.21 -56.56 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -47.94 -58.65 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 19.7 mt -46.43 -50.3 16.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -41.6 -54.43 3.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -49.29 -59.28 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -46.04 -44.91 15.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -58.95 -58.73 7.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -51.77 -33.9 37.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -73.21 -45.38 56.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -61.61 -45.77 92.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 6.7 tt -71.98 -23.7 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 171' ' ' ALA . . . -61.41 -30.9 70.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -88.87 -19.62 25.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -69.05 -44.56 72.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -97.05 -44.63 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 167' ' ' ALA . . . -102.5 84.83 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.049 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -47.87 121.68 4.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m 51.19 42.37 28.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 m -124.98 157.37 36.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.58 56.97 3.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -154.23 154.24 33.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.829 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -163.69 168.44 19.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.55 -135.95 4.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.5 mmt -93.03 95.4 9.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 48.55 -172.75 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -124.63 146.05 49.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.3 -94.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.559 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -149.88 110.1 3.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' LYS . 53.5 Cg_endo -69.77 -9.22 25.58 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.298 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' LYS . 40.6 mtmt -37.37 -64.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' LYS . 11.0 ttmm -34.95 130.87 0.47 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.862 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.8 123.0 9.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.307 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 17' ' ' ARG . 8.7 mtp-105 -80.73 148.05 30.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' LYS . . . 178.84 -63.75 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.587 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 7.9 mtmp? -35.48 135.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.547 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 29.8 mtp -123.11 168.61 12.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.5 m -100.27 -174.76 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 p -59.05 -44.16 91.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.418 ' O ' HG23 ' A' ' 27' ' ' VAL . 79.9 t80 -68.39 -62.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -40.04 -39.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.059 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.547 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 5.1 m-85 -81.69 -52.46 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -47.67 -28.36 2.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 23' ' ' TYR . 98.2 t -75.92 -32.95 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -92.32 -13.77 29.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.5 m -82.56 -38.2 24.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.4 m -76.45 -28.49 56.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -73.67 -40.65 63.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 4.3 pt-20 -66.97 -49.4 65.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 16.4 mm-40 -52.22 -35.34 49.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -68.5 -60.39 2.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.99 -23.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -80.95 -45.34 16.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.8 -45.54 82.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -134.61 94.84 16.54 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.553 0.692 . . . . 0.0 110.838 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -43.94 2.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -61.19 -32.06 71.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.66 122.27 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.5 p -104.07 94.42 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 44' ' ' ASN . 2.0 p -83.09 155.54 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.439 ' N ' ' CG2' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -96.69 154.83 17.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -80.7 -57.22 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -44.8 -41.65 7.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -75.3 -47.98 25.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -65.33 -14.2 60.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 t -86.95 -66.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HG3' ' CE ' ' A' ' 51' ' ' LYS . 9.7 ptmt -43.84 -36.9 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.476 ' CE ' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -67.38 -54.76 17.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.41 ' HB3' HG22 ' A' ' 27' ' ' VAL . 9.3 m -41.56 -29.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.8 t -67.35 -71.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -63.97 -15.07 58.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -89.58 -23.72 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.578 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 21.3 t-105 -83.46 -40.19 19.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -67.97 -38.33 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 t -68.47 -24.73 64.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.573 ' SD ' ' CE1' ' A' ' 26' ' ' PHE . 15.3 mtp -61.39 120.53 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.97 157.73 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.53 -41.84 31.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 10.5 ptpp? -54.47 -40.74 68.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 30.3 mm-40 -67.71 -37.88 82.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.52 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 82.9 mttt -78.62 -24.81 45.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.23 -59.68 8.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -51.85 -50.26 61.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 36.9 m-85 -54.32 -38.19 65.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.96 -32.24 72.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.88 -56.36 4.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.497 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 4.7 mtm -53.87 -50.05 67.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.08 -51.34 62.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -53.3 -31.73 45.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 70' ' ' MET . . . -58.45 -34.48 70.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER -53.41 -17.53 2.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -58.45 -22.34 54.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.15 -54.31 3.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -59.83 -15.25 19.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.587 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -77.52 -43.76 30.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -46.52 -32.02 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -42.46 -46.17 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -65.83 -45.12 83.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' LYS . 62.3 mmm -47.99 -36.08 12.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -37.61 -53.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 70.8 p -70.65 -36.75 73.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.194 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.565 ' CD2' ' HD3' ' A' ' 16' ' ' PRO . 38.9 t80 -74.63 148.06 41.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 18.0 mt -133.47 98.44 15.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 86' ' ' ILE . 53.6 Cg_endo -69.77 167.42 24.51 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.358 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -171.29 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.703 2.268 . . . . 0.0 112.352 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -45.76 102.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -91.77 149.48 19.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -89.25 81.54 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.993 0.425 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.7 t -153.98 152.58 30.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.1 mmtt -133.43 39.08 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.4 pttm -151.93 127.6 10.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 95' ' ' LYS . 38.4 pttt -141.91 121.35 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -173.01 123.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -151.9 147.84 27.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -123.0 66.72 30.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.58 0.705 . . . . 0.0 110.868 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -41.92 3.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.24 . . . . 0.0 112.34 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -56.99 -36.88 70.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.34 126.46 68.74 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.565 0.697 . . . . 0.0 111.129 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 133.38 25.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.511 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -71.37 168.82 16.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.445 ' HG2' ' CZ ' ' A' ' 162' ' ' TYR . 50.6 mtt180 -110.21 121.33 41.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.845 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 167.02 25.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.313 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -179.13 2.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 108' ' ' ALA . 77.5 p -135.77 153.82 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -35.67 -43.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.464 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 2.0 t80 -66.94 -47.62 71.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.421 ' O ' ' CB ' ' A' ' 114' ' ' SER . 11.1 t80 -61.5 -43.11 99.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.66 -50.18 70.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.653 ' CG ' ' CE3' ' A' ' 140' ' ' TRP . 0.6 OUTLIER -62.16 -48.26 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.7 p -68.26 -32.58 72.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 42.2 t -75.62 -14.77 60.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -101.64 -26.02 13.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -91.83 -10.62 39.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.643 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 9.9 ttm180 -62.53 -51.79 70.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.634 0.73 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.83 -7.85 22.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.302 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -93.21 -36.69 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.2 pt -92.3 -40.39 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -51.84 -32.39 31.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -79.89 -38.46 19.57 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.15 -47.89 72.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -107.1 90.45 5.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -17.59 37.43 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -70.89 -47.36 39.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 131' ' ' ASP . 36.7 mt -50.69 -178.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.7 t -152.92 172.97 15.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.0 mt -50.13 -36.53 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -69.12 -51.18 29.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.499 ' HB3' HD22 ' A' ' 127' ' ' LEU . 9.6 m-20 -71.38 -60.43 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' ASP . 52.6 t -34.25 -49.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.742 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -50.78 -48.06 59.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 131' ' ' ASP . 0.6 OUTLIER -60.5 -32.77 71.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -69.27 -25.52 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 133' ' ' ALA . 10.4 mt -79.36 -21.48 45.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.66 -62.8 5.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 138' ' ' GLU . 13.3 pm0 -66.27 -34.76 78.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 64.9 mmm -55.18 -48.75 73.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.653 ' CE3' ' CG ' ' A' ' 112' ' ' PHE . 31.0 t-105 -66.62 -33.3 75.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -75.72 -27.74 58.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -86.61 -36.83 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 53.7 m -37.8 149.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.94 134.7 38.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.111 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -45.51 -36.65 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -61.58 -37.15 82.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.28 -15.06 62.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 149' ' ' GLN . 44.7 mttp -94.72 -22.35 18.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.521 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.5 tt0 -33.94 -58.58 0.58 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.61 0.719 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.0 Cg_endo -69.79 -44.75 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 15.3 m-85 -55.57 -23.39 26.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -93.84 -57.85 2.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -48.64 -43.52 36.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -66.5 -66.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -40.03 -44.64 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -48.87 -59.93 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -41.61 -53.53 3.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 29.7 mt -62.64 -39.11 92.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -60.04 -41.98 93.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -55.34 -49.78 71.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -54.15 -39.48 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.511 ' CD1' ' O ' ' A' ' 103' ' ' LYS . 40.4 t80 -63.76 -59.53 4.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 167' ' ' ALA . 11.1 mt-10 -55.08 -32.22 61.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.429 ' HA ' ' NZ ' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -69.69 -50.79 40.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.67 -48.05 78.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 3.9 tt -64.18 -34.65 70.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.669 ' O ' ' HB3' ' A' ' 171' ' ' ALA . . . -46.89 -34.25 5.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.052 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -88.4 -19.32 26.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.076 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -80.5 -48.62 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.498 ' HD2' ' HB2' ' A' ' 171' ' ' ALA . 0.0 OUTLIER -95.57 -23.34 17.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.818 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.669 ' HB3' ' O ' ' A' ' 167' ' ' ALA . . . -125.24 69.68 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 171' ' ' ALA . 0.0 OUTLIER -34.64 -37.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 171' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -134.45 42.44 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -144.81 164.17 31.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.36 -57.62 0.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 6' ' ' SER . 21.4 m -109.63 140.63 43.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 0.0 110.871 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.3 m -35.43 -59.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.93 90.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 mmm -61.55 -32.31 72.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.357 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.04 16.81 6.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -137.3 160.79 38.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.2 158.67 7.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -81.75 149.95 64.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.28 25.72 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -51.74 -64.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -55.74 115.96 10.88 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.572 0.701 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 137.02 34.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ptp85 -119.02 41.02 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' LYS . . . -55.25 -58.57 13.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.529 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 8.4 mtmp? -35.72 126.63 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.424 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 21.0 mtp -107.13 169.75 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -105.32 161.85 13.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -40.7 -55.76 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.758 ' CE2' HG21 ' A' ' 27' ' ' VAL . 50.6 t80 -56.52 -60.32 3.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' TYR . . . -35.49 -40.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.495 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 9.1 m-85 -82.48 -57.52 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.547 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -42.84 -31.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.758 HG21 ' CE2' ' A' ' 23' ' ' TYR . 46.6 t -81.79 -31.34 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' PHE . 3.6 pt20 -79.62 -28.45 40.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -76.22 -58.22 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 54.8 m -54.64 -45.92 73.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.539 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 19.6 ptt180 -56.68 -42.87 79.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 22.8 mt-10 -65.11 -45.33 85.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -56.42 -36.62 69.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.559 ' CD2' HG11 ' A' ' 43' ' ' VAL . 8.6 t60 -61.39 -67.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -39.29 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 34' ' ' HIS . 24.5 mmtt -82.16 -41.62 20.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 34' ' ' HIS . 23.2 mmtp -68.45 -43.32 77.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 44.1 m-70 -130.0 95.02 29.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.82 -42.53 3.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -62.01 -40.02 94.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.65 115.01 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 t -89.94 42.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.559 HG11 ' CD2' ' A' ' 34' ' ' HIS . 7.2 p -51.17 136.84 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -81.3 154.09 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' A' ' 46' ' ' SER . 28.8 p90 -79.88 -53.04 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.556 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 3.2 m -52.5 -53.0 51.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.06 -47.63 83.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 31' ' ' ARG . 89.6 t80 -39.96 -31.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' LYS . 23.2 t -61.29 -45.1 95.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -39.06 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' SER . 80.1 mttt -87.5 -54.83 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.409 ' HB3' HG22 ' A' ' 27' ' ' VAL . 3.8 m -47.22 -32.56 4.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.2 p -61.2 -70.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -67.15 -17.63 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -84.34 -26.66 28.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.516 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 35.0 t-105 -78.3 -38.57 42.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -68.98 -39.74 79.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 t -65.73 -40.7 92.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.6 mtm -49.04 124.8 9.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -62.88 164.5 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.29 -45.41 34.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.084 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -54.11 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -47.38 -37.68 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.516 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 69.2 mttt -72.96 -36.19 67.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -43.81 -56.87 4.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -55.03 -36.14 65.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.547 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 56.0 m-85 -80.32 -21.11 42.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -85.81 -32.68 21.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.51 -33.27 36.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.0 ptp -76.86 -32.22 57.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 25' ' ' PHE . . . -71.08 -41.15 71.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.094 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 2.7 ptmm? -63.63 -33.0 74.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.49 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -53.08 -20.61 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.43 ' OD1' ' NE ' ' A' ' 77' ' ' ARG . 4.2 t0 -65.71 -9.41 27.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -63.57 -30.76 71.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.465 ' N ' ' HD2' ' A' ' 75' ' ' LYS . . . -81.97 -54.26 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.43 ' NE ' ' OD1' ' A' ' 74' ' ' ASP . 2.7 ppt_? -60.37 -29.11 68.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.529 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 10.6 t80 -59.15 -42.96 91.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 80' ' ' ARG . 33.4 mt-10 -37.89 -37.81 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 79' ' ' GLU . 21.9 mmt180 -34.98 -62.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 83' ' ' LYS . 62.9 mt-10 -70.49 -53.14 17.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.1 tpt -38.41 -27.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 81' ' ' GLU . 17.8 tttt -69.39 -49.07 58.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 81' ' ' GLU . 67.5 p -63.84 -28.26 69.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -79.68 136.83 36.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.8 mt -126.87 100.64 27.46 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.578 0.704 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.16 19.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 89' ' ' LYS . 54.0 Cg_endo -69.76 -179.81 3.17 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.367 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' PRO . 9.4 mmtp -36.71 99.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -143.22 -152.78 5.73 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -121.16 170.11 9.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.959 0.409 . . . . 0.0 110.847 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.65 115.26 1.64 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -68.35 -178.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 147.75 43.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -139.08 145.12 39.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -148.41 121.75 9.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -174.05 159.87 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.6 87.7 5.62 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -8.56 23.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.627 2.218 . . . . 0.0 112.386 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -116.6 48.99 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -164.25 151.11 9.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.563 0.697 . . . . 0.0 111.146 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.872 ' HD2' HD12 ' A' ' 166' ' ' ILE . 53.3 Cg_endo -69.76 166.65 26.87 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.668 2.246 . . . . 0.0 112.296 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 148.91 38.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -81.15 153.57 72.0 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.723 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 165.12 32.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.734 2.289 . . . . 0.0 112.305 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 178.69 4.31 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 t -120.48 168.01 11.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 151' ' ' TYR . . . -49.91 -30.87 11.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.463 ' HB2' ' NE1' ' A' ' 140' ' ' TRP . 5.4 t80 -63.9 -53.76 45.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -54.29 -48.51 71.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 92.5 mt -54.86 -66.0 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.532 ' HA ' ' CE1' ' A' ' 151' ' ' TYR . 1.1 t80 -44.99 -55.01 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.807 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.8 p -60.76 -29.58 69.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.9 t -82.0 -12.9 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -101.62 -22.25 14.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -95.82 -19.52 19.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.638 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 11.1 ttp180 -52.57 -51.89 68.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.4 Cg_endo -69.71 -3.68 12.46 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.368 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -102.15 -35.54 8.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.915 HD11 HG13 ' A' ' 132' ' ' VAL . 44.4 pt -92.54 -34.87 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.445 ' N ' HG13 ' A' ' 120' ' ' ILE . 1.1 tmmt? -62.63 -49.93 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -65.19 -37.92 94.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -70.99 -45.66 63.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.633 ' CB ' HD12 ' A' ' 127' ' ' LEU . 44.3 m-70 -105.15 96.13 10.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -29.34 23.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.236 . . . . 0.0 112.346 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.25 -34.98 90.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.633 HD12 ' CB ' ' A' ' 124' ' ' HIS . 13.7 mt -78.12 158.92 28.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 129' ' ' ILE . 39.6 m -149.64 171.77 16.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' SER . 88.2 mt -35.71 -37.49 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.92 -57.78 10.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 132' ' ' VAL . 34.4 m-20 -71.13 -59.64 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.804 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.915 HG13 HD11 ' A' ' 120' ' ' ILE . 54.3 t -33.76 -50.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -42.24 -64.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -52.39 -30.48 29.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.632 ' HE2' HD13 ' A' ' 127' ' ' LEU . 5.9 ttpp -67.56 -35.34 78.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.807 HD13 ' HB2' ' A' ' 113' ' ' CYS . 16.6 mt -81.28 -23.51 37.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.25 -44.35 95.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 139' ' ' MET . 7.1 pt-20 -74.75 -41.62 59.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.445 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 28.6 mtp -50.53 -61.24 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.463 ' NE1' ' HB2' ' A' ' 109' ' ' PHE . 6.4 t-105 -50.07 -34.88 23.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -76.91 -24.08 52.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -110.73 26.9 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 24.3 m -106.41 135.61 47.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -68.73 135.49 51.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -46.44 -40.91 13.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -55.02 -36.13 65.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.59 -13.2 61.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 mttt -99.24 1.48 44.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.511 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.9 tt0 -50.95 -58.68 9.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.9 Cg_endo -69.76 -17.96 37.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.626 2.217 . . . . 0.0 112.349 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.532 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 38.2 m-85 -89.41 -22.0 22.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -93.43 -52.29 4.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -55.23 -47.61 75.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -57.12 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -41.69 -48.07 4.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -44.76 -40.47 6.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -65.19 -50.31 66.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 17.7 mt -47.51 -45.04 26.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.964 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -42.03 -39.59 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 164' ' ' LYS . 6.4 mm-40 -51.2 -41.45 60.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -60.59 -45.85 92.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.677 ' O ' HG22 ' A' ' 166' ' ' ILE . 32.6 t80 -66.36 -53.0 41.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.75 -31.04 70.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 160' ' ' GLU . 31.6 mmtt -85.89 -29.09 23.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -77.15 -39.44 49.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.872 HD12 ' HD2' ' A' ' 102' ' ' PRO . 4.6 tt -68.11 -37.25 77.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -49.9 -46.8 52.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -89.34 -17.08 29.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.579 ' CD2' ' HD3' ' A' ' 102' ' ' PRO . 80.4 t80 -57.7 -63.47 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -72.18 -42.12 66.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -116.12 81.18 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -88.25 -46.57 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.532 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -108.0 138.86 43.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.8 m -134.52 119.58 18.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.54 138.64 11.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -95.68 -53.84 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.376 . . . . 0.0 110.853 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.7 t -44.65 113.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.02 141.56 12.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -116.28 41.8 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.91 72.59 0.57 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 11' ' ' GLY . 4.3 tppp? -78.41 155.61 29.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 10' ' ' LYS . . . 39.93 -145.55 0.33 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -93.17 142.9 25.92 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.612 0.72 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -8.01 22.51 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.248 . . . . 0.0 112.294 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -43.02 -49.37 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -55.36 116.75 12.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.554 0.692 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 17' ' ' ARG . 53.6 Cg_endo -69.78 9.37 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.637 2.225 . . . . 0.0 112.333 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 16' ' ' PRO . 23.2 ptt180 -32.75 134.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -174.79 -38.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HE3' ' CE1' ' A' ' 78' ' ' TYR . 7.0 pttp -49.34 154.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.597 ' HE3' ' CD1' ' A' ' 25' ' ' PHE . 10.0 mtm -120.12 163.63 17.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.7 p -101.26 178.86 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.8 p -48.88 -54.04 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -62.67 -62.08 1.98 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.555 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -39.23 -39.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CD1' ' HE3' ' A' ' 20' ' ' MET . 8.8 m-85 -78.99 -56.43 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.551 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -45.47 -29.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.36 -35.58 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -89.01 -23.26 22.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.7 m -74.26 -40.96 62.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.551 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 90.7 m -71.75 -53.68 12.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 10.0 ptm180 -44.24 -40.87 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 11.4 mt-10 -65.78 -49.52 68.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -50.99 -36.44 39.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 37' ' ' LYS . 2.3 t-160 -60.9 -67.59 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.462 ' HE3' ' CD2' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -36.96 -29.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 34' ' ' HIS . 2.0 mmmm -78.99 -44.74 21.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 34' ' ' HIS . 18.3 mmtp -68.7 -45.09 72.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.853 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 49.0 m-70 -133.32 93.54 21.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.75 -49.42 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.272 . . . . 0.0 112.329 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -85.6 21.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.853 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . . . -87.79 120.45 29.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.3 p -71.79 85.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -105.03 142.26 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -95.53 -176.92 3.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -103.44 -48.66 3.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -64.19 -36.61 84.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.566 ' CD ' ' N ' ' A' ' 48' ' ' PHE . 2.1 pp20? -65.62 -45.67 82.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 16.2 t80 -62.05 -33.77 75.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 51' ' ' LYS . 1.6 m -78.46 -61.61 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -42.91 -23.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.3 ttmt -92.72 -41.81 9.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -47.81 -25.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.7 p -68.58 -67.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -69.25 -15.79 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' C ' HG22 ' A' ' 58' ' ' THR . 20.7 ttt85 -87.23 -23.69 24.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.532 ' CZ2' ' HD3' ' A' ' 64' ' ' LYS . 16.0 t-105 -83.59 -41.73 17.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -68.16 -33.4 74.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.416 HG22 ' C ' ' A' ' 55' ' ' ARG . 9.8 t -68.86 -29.15 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.4 mtm -59.4 123.21 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.9 m -59.38 152.46 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.96 -38.36 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -58.15 -42.0 84.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -66.63 -47.05 73.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.532 ' HD3' ' CZ2' ' A' ' 56' ' ' TRP . 77.3 mttt -63.31 -26.94 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' GLU . . . -41.34 -72.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -43.74 -43.97 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 49.3 m-85 -65.85 -30.4 71.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' GLY . 7.7 mm-40 -74.41 -40.03 62.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.13 -56.89 4.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 8.4 ptp -49.24 -43.8 43.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 70' ' ' MET . . . -61.46 -44.39 97.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -51.89 -36.62 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.45 -43.91 84.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -67.75 -38.69 83.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -58.29 -30.23 66.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.46 -53.06 6.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -57.85 -20.57 37.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.46 ' CE1' ' HE3' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -81.8 -39.06 24.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.828 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -51.86 -38.99 58.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -44.88 -41.63 7.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -40.47 90.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 85' ' ' TYR . 48.6 tpp -52.23 -39.34 60.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -38.24 -46.85 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 66.6 p -69.04 -36.82 78.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 82' ' ' MET . 67.1 t80 -51.67 146.56 7.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.6 mt -138.0 105.04 8.06 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 163.66 37.45 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.648 2.232 . . . . 0.0 112.373 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 176.55 6.65 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 99.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.25 -145.91 4.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -114.81 113.85 24.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.97 0.414 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.9 m -141.41 152.02 43.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -100.27 124.9 46.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -98.67 137.82 36.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -109.99 166.83 10.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -129.2 149.37 51.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -119.24 156.37 30.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -88.6 122.96 68.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -20.45 34.59 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.246 . . . . 0.0 112.337 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -65.93 -50.88 62.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.95 142.26 35.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 125.62 12.38 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.345 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.91 139.37 44.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -61.55 132.12 92.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 165.08 32.2 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 157.08 61.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 108' ' ' ALA . 15.2 m -111.4 164.85 12.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.525 ' HB1' ' HZ2' ' A' ' 140' ' ' TRP . . . -33.73 -70.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.547 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 11.0 t80 -40.68 -42.79 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.34 -61.85 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.2 mt -42.31 -45.78 4.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.524 ' HA ' ' CE1' ' A' ' 151' ' ' TYR . 0.9 OUTLIER -65.79 -52.36 51.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.543 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.4 p -57.23 -30.47 64.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.3 t -74.68 -10.53 59.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.54 -41.05 7.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.552 ' CD2' ' HD3' ' A' ' 119' ' ' LYS . 4.2 m-85 -83.12 -44.33 15.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.543 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 8.3 ttp180 -28.24 -57.86 0.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.8 Cg_endo -69.75 -38.05 8.36 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.552 ' HD3' ' CD2' ' A' ' 116' ' ' TYR . 0.0 OUTLIER -61.89 -26.15 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.2 pt -96.13 -31.34 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.66 -50.91 67.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -61.91 -36.21 92.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -69.31 -39.97 77.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -121.63 94.15 48.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.536 0.684 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -34.44 14.65 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.17 -51.4 54.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.526 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.637 HD22 ' HB3' ' A' ' 131' ' ' ASP . 85.7 mt -50.27 152.99 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.9 m -125.29 166.78 15.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 36.6 mt -38.48 -35.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -69.02 -51.5 28.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.637 ' HB3' HD22 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -70.7 -61.96 1.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 131' ' ' ASP . 97.2 t -35.65 -37.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.426 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -66.76 -49.3 66.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 131' ' ' ASP . 19.2 ttmt -61.06 -29.02 69.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -67.67 -25.27 65.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 113' ' ' CYS . 7.1 mt -86.82 -13.54 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.19 -47.54 79.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -70.13 -39.16 75.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 30.0 mtt -47.16 -64.96 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.565 ' CH2' ' HG2' ' A' ' 148' ' ' LYS . 4.2 t-105 -48.6 -35.19 13.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.08 -25.03 55.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -109.26 33.8 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 m -117.29 127.22 53.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -54.43 138.79 39.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -50.84 -34.52 28.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.15 -25.65 68.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.44 11.48 14.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.565 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 64.1 mttt -120.26 -22.97 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.649 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 11.8 tt0 -43.99 -51.4 18.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.71 -16.47 37.78 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.524 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 15.6 m-85 -90.39 -28.75 18.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -87.96 -58.49 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -44.63 -50.3 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -59.57 -52.57 64.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -43.66 -34.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.97 -54.95 34.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.451 ' O ' ' CD ' ' A' ' 161' ' ' LYS . 23.3 mmmt -50.13 -24.19 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 13.2 mt -87.89 -33.09 18.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -71.22 -43.61 66.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 161' ' ' LYS . 11.0 pt-20 -55.08 -48.74 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -56.5 -40.31 74.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.494 ' O ' HG22 ' A' ' 166' ' ' ILE . 8.9 t80 -62.35 -51.42 67.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -54.11 -41.14 67.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -68.9 -47.31 66.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.38 -54.76 43.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.494 HG22 ' O ' ' A' ' 162' ' ' TYR . 6.6 tt -57.76 -40.79 77.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.436 ' N ' HG23 ' A' ' 166' ' ' ILE . . . -44.1 -40.72 5.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -80.96 -44.32 18.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -38.82 -54.91 1.57 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 25.4 ptt85 -65.72 -41.97 91.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -169.16 110.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -49.03 134.97 16.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -70.97 137.71 49.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.842 0.354 . . . . 0.0 110.884 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m -49.08 144.9 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.809 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.94 100.78 2.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 m -66.38 84.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.934 0.397 . . . . 0.0 110.844 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -156.35 172.03 19.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.82 -111.56 0.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 mtt 55.25 52.54 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.97 130.84 6.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -125.68 176.63 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 137.56 -92.88 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -114.67 141.9 27.44 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.653 0.74 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -9.16 25.43 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -80.9 -42.46 21.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -53.94 115.19 7.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 146.77 60.97 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 -130.29 39.57 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.65 -65.19 3.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.559 ' HG2' ' CE2' ' A' ' 78' ' ' TYR . 15.2 pttt -48.83 124.9 9.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.309 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 12.6 mtp -115.92 168.98 9.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 t -90.27 166.37 13.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 m -40.81 -63.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.525 ' CD1' ' CG ' ' A' ' 56' ' ' TRP . 50.3 t80 -56.47 -58.61 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.444 ' O ' ' HE2' ' A' ' 20' ' ' MET . . . -41.91 -39.08 1.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 3.6 m-85 -77.97 -54.47 6.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.402 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -47.65 -19.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 23' ' ' TYR . 78.4 t -79.14 -34.9 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -92.44 -18.46 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.3 m -76.62 -37.56 56.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' SG ' ' CE1' ' A' ' 26' ' ' PHE . 85.5 m -72.44 -48.96 36.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 5.9 ptm180 -49.47 -43.96 45.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 4.9 mm-40 -66.56 -59.07 3.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -50.31 -32.6 17.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LYS . 29.2 t60 -61.23 -63.68 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -38.85 -27.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' HIS . 4.9 mmpt? -80.74 -42.98 20.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' HIS . 18.7 mmtp -67.79 -45.29 75.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . 52.9 m-70 -133.61 94.62 18.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.527 0.68 . . . . 0.0 110.838 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.242 . . . . 0.0 112.372 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -85.35 32.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . . . -82.4 175.23 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.0 p -132.74 77.51 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -110.97 142.59 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 45' ' ' PHE . 10.0 m-20 -107.15 123.77 48.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 44' ' ' ASN . 68.9 m-85 -36.76 -54.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -55.38 -52.72 62.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' SER . 5.9 mm-40 -55.37 -54.25 45.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 10.4 t80 -35.85 -32.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' GLU . 40.2 t -58.05 -54.08 51.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -49.63 -31.57 11.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -56.22 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.8 p -58.0 -34.22 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -67.46 -45.85 74.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 8.3 pt-20 -81.84 -19.2 41.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' HA ' HG22 ' A' ' 58' ' ' THR . 47.0 mtp180 -84.9 -33.54 22.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.525 ' CG ' ' CD1' ' A' ' 23' ' ' TYR . 67.3 t-105 -71.19 -31.88 68.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.448 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 17.5 ptmt -75.57 -44.33 43.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.446 HG22 ' HA ' ' A' ' 55' ' ' ARG . 6.9 t -68.82 -42.72 76.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.179 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.42 ' N ' HG23 ' A' ' 58' ' ' THR . 3.2 mtm -47.9 112.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 p -64.59 175.1 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.56 -36.63 74.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -58.76 -29.04 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -85.48 -41.62 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 74.8 mttt -71.79 -18.61 62.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.26 -72.96 0.4 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -46.83 -43.78 18.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -61.73 -35.24 77.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.65 -45.91 70.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -67.57 -62.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.2 ptp -47.41 -38.82 14.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.36 -37.18 80.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -64.3 -52.85 56.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.98 -20.25 50.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.91 -43.22 98.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -38.22 -32.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.38 -67.51 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.423 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 2.9 ppt_? -48.4 -24.8 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.559 ' CE2' ' HG2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -67.14 -42.03 85.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -47.53 -21.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.484 ' HD3' ' N ' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -46.18 -42.98 14.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.484 ' N ' ' HD3' ' A' ' 80' ' ' ARG . 9.8 pt-20 -79.65 -39.02 32.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.8 mtp -44.57 -22.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -48.03 -49.85 29.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 79.5 p -65.97 -35.37 80.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.42 ' C ' HG13 ' A' ' 86' ' ' ILE . 83.9 t80 -68.37 157.56 35.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 85' ' ' TYR . 21.4 mt -142.45 105.01 5.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 169.82 17.99 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.389 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 169.31 19.32 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -66.31 -30.67 71.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 38.89 -116.38 0.56 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -128.48 45.15 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.399 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.7 m -155.32 132.66 11.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.13 147.84 23.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -154.59 138.02 15.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.517 ' HG2' ' CD1' ' A' ' 96' ' ' PHE . 28.7 ttmt -71.42 165.93 22.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.517 ' CD1' ' HG2' ' A' ' 95' ' ' LYS . 51.3 p90 -51.66 -175.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.22 164.1 28.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -41.49 102.03 0.26 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.657 0.742 . . . . 0.0 110.839 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -11.87 31.69 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -72.14 -51.2 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -50.51 142.86 14.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.562 0.696 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 166.94 25.84 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.344 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.37 164.28 14.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -84.93 130.63 51.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.576 0.703 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 164.86 32.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 156.0 64.31 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.3 p -107.08 161.85 14.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.52 -41.46 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.484 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 10.5 t80 -60.83 -43.07 98.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.829 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 114' ' ' SER . 49.2 t80 -66.39 -47.32 73.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 72.6 mt -58.6 -38.77 78.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 113' ' ' CYS . 1.1 t80 -71.17 -60.37 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.53 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.2 p -58.56 -30.79 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 18.0 m -67.54 -21.94 65.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -97.92 -20.04 17.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.416 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.1 m-85 -92.57 -31.96 15.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.569 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 2.1 ttt180 -48.62 -56.06 16.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.77 -14.18 35.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.603 2.202 . . . . 0.0 112.364 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -89.23 -33.25 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 121' ' ' LYS . 12.1 pt -93.26 -44.99 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.437 ' N ' HG13 ' A' ' 120' ' ' ILE . 29.5 ttpt -47.19 -37.33 10.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -75.67 -37.47 39.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.473 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -68.85 -40.52 79.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 77.3 m-70 -114.44 92.61 28.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.567 0.699 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.3 Cg_endo -69.81 -12.99 33.93 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.08 -42.8 9.19 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 131' ' ' ASP . 46.5 mt -54.56 123.93 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.5 p -90.55 169.46 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 43.9 mt -45.48 -37.59 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.51 -58.06 7.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.471 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 132' ' ' VAL . 10.8 m-20 -58.41 -58.02 10.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 131' ' ' ASP . 69.5 t -35.27 -47.85 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.503 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -57.74 -48.92 78.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 131' ' ' ASP . 46.1 mmtt -51.82 -36.75 49.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -64.83 -29.34 70.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 133' ' ' ALA . 6.8 mt -86.77 -28.1 23.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.959 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.02 -43.53 97.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 139' ' ' MET . 12.9 pt-20 -75.56 -45.0 40.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.456 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 2.8 mmm -43.95 -67.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.503 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 3.2 t-105 -45.13 -36.38 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -74.68 -29.48 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 139' ' ' MET . 24.7 p30 -104.77 30.41 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.445 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 18.3 m -114.26 137.06 52.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -70.47 131.7 44.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -41.61 -39.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -51.85 -44.47 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.445 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 9.2 t70 -62.52 -21.05 65.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.501 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 72.3 mttt -94.74 12.33 28.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.527 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.1 tt0 -58.73 -58.73 17.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.7 Cg_endo -69.74 -32.41 18.71 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 18.1 m-85 -69.41 -46.12 67.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.56 -58.44 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 29.4 mtmt -46.71 -54.05 10.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -55.28 -69.29 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -39.42 -45.01 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -47.76 -50.54 25.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -51.96 -49.7 62.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 60.3 mt -53.37 -53.3 53.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -38.01 -50.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -47.12 -55.29 8.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -47.81 -44.43 28.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.508 ' O ' HG22 ' A' ' 166' ' ' ILE . 7.8 t80 -62.68 -61.04 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.87 -39.8 12.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -70.86 -51.45 26.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -54.25 -50.48 67.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 162' ' ' TYR . 6.1 tt -66.22 -36.52 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -45.21 -39.81 6.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -73.89 -42.45 60.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -51.91 -57.77 8.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 171' ' ' ALA . 14.7 ptm180 -54.85 -40.97 70.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.452 ' N ' ' HG3' ' A' ' 170' ' ' ARG . . . -171.16 108.84 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -52.86 107.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.906 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -74.83 172.45 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -105.42 127.21 52.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.61 -95.37 0.94 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t 41.89 44.27 2.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -126.35 122.69 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.48 143.89 16.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -138.35 139.38 39.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.339 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.44 131.61 2.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -126.03 -45.88 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.366 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.56 -40.2 1.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.445 ' CB ' ' HE3' ' A' ' 14' ' ' LYS . 3.0 m-20 -41.68 150.09 0.37 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.586 0.708 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -4.47 14.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HE3' ' CB ' ' A' ' 12' ' ' ASP . 35.7 mttt -45.79 -67.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' LYS . 22.4 ttpt -34.5 128.08 0.48 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.704 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.505 ' O ' ' CE ' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.83 95.87 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -87.47 25.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.63 -175.47 47.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.583 ' HD3' ' CD2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -106.11 -174.18 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.5 mtp -96.15 173.37 7.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' SER . 5.8 t -114.59 156.12 25.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' SER . 10.1 p -36.29 -44.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.85 -60.54 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.33 -33.53 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -82.98 -39.89 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.402 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -66.06 -26.4 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.6 t -81.88 -31.33 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.63 -11.51 36.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.2 m -91.22 -52.21 4.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 m -63.02 -21.89 66.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.408 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 35.2 ptt85 -80.21 -43.28 21.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 6.3 pt-20 -70.14 -49.69 48.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.531 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 18.7 mt-10 -50.94 -35.11 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 37' ' ' LYS . 38.3 t60 -63.36 -60.45 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -37.33 -29.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.8 OUTLIER -78.44 -43.94 25.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' HIS . 14.2 mmmt -69.21 -43.49 73.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . 34.0 m-70 -131.92 94.97 23.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 110.803 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -49.6 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.256 . . . . 0.0 112.289 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -92.5 38.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.518 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . . . -80.36 172.96 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.8 t -125.22 50.61 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 p -84.61 145.15 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -105.19 145.41 30.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -67.16 -64.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.4 t -44.32 -36.7 2.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -73.69 -38.6 64.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -68.36 -23.73 64.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.87 -49.89 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -21.71 66.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HE3' ' CZ ' ' A' ' 55' ' ' ARG . 15.2 ptmt -87.38 -39.62 15.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.2 m -55.21 -28.23 51.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -64.64 -56.51 13.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.11 -25.8 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.445 ' HA ' HG22 ' A' ' 58' ' ' THR . 30.0 mtt85 -79.4 -22.25 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.498 ' CD2' ' HE2' ' A' ' 64' ' ' LYS . 46.7 t-105 -82.11 -35.65 28.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -76.7 -33.48 58.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 55' ' ' ARG . 13.6 t -72.55 -40.31 66.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 58' ' ' THR . 4.9 mtm -51.81 113.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 t -62.06 174.05 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.52 -46.38 73.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -48.08 -40.36 22.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -70.63 -52.76 19.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 86.5 mttt -63.97 -14.15 51.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -47.66 -61.66 4.56 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -55.83 -57.63 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 69.1 m-85 -48.57 -35.9 14.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -67.65 -38.86 84.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -69.97 -29.93 67.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 mtm -82.18 -45.05 15.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.59 84.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -65.08 -36.48 84.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.467 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -74.98 -29.5 60.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -68.99 -1.99 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' CD ' ' HD2' ' A' ' 19' ' ' LYS . 36.7 tptt -75.52 -18.58 59.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -109.39 -20.16 13.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.33 -14.22 41.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -73.36 -30.11 63.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.962 -179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.5 ' HG2' ' CZ ' ' A' ' 78' ' ' TYR . 33.0 mt-10 -72.19 -61.46 1.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -51.71 -44.8 63.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -47.18 -45.31 22.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 16' ' ' PRO . 40.3 ttm -39.1 -41.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -50.21 -48.85 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.0 t -107.45 36.12 2.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -67.4 106.12 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.418 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 63.7 mt -115.92 98.12 50.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 0.0 111.097 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.558 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.78 150.8 68.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.358 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -171.9 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -70.43 -28.85 65.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.47 166.86 3.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -123.01 -174.85 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.7 m -126.47 32.26 5.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.38 136.7 57.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -163.41 146.84 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.19 -179.92 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -151.1 122.7 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 18.2 tptm -147.04 145.48 29.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 19.4 m-20 -118.22 73.29 10.05 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.657 0.741 . . . . 0.0 110.898 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -30.84 21.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.272 . . . . 0.0 112.367 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 101' ' ' ALA . 10.7 m120 -61.53 -40.02 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 100' ' ' ASN . . . -34.03 127.36 0.46 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.099 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.45 ' HG3' ' CA ' ' A' ' 166' ' ' ILE . 53.8 Cg_endo -69.78 -173.06 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.585 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 1.2 pmtp? -118.64 162.19 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -93.58 111.38 52.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 168.84 20.28 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.368 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 179.38 3.75 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.8 p -133.56 169.86 16.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.08 -45.6 22.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.581 ' CE1' ' SG ' ' A' ' 113' ' ' CYS . 19.2 t80 -50.21 -52.4 36.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.38 -47.11 76.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 151' ' ' TYR . 92.9 mt -55.25 -64.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -45.74 -48.84 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.654 ' HA ' HD22 ' A' ' 136' ' ' LEU . 71.9 m -53.94 -61.69 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.7 t -57.62 -13.64 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -91.8 -28.46 17.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -99.29 -14.95 19.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.635 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 6.3 ttt180 -55.85 -52.16 74.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.6 Cg_endo -69.79 -5.64 16.71 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -93.74 -55.67 3.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.728 HD11 HG13 ' A' ' 132' ' ' VAL . 38.6 pt -77.17 -35.44 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 117' ' ' ARG . 31.4 ttmt -61.09 -55.85 27.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -62.57 -41.53 99.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -66.25 -39.95 89.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.923 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 81.8 m-70 -116.43 92.83 38.08 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.7 Cg_endo -69.74 -14.26 35.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.346 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -79.93 -37.66 21.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.556 HD22 ' HB3' ' A' ' 131' ' ' ASP . 38.9 mt -62.41 122.19 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.2 m -98.38 164.33 12.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.1 mt -38.28 -41.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -57.83 -50.33 66.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.556 ' HB3' HD22 ' A' ' 127' ' ' LEU . 5.5 m-20 -71.81 -64.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.728 HG13 HD11 ' A' ' 120' ' ' ILE . 59.4 t -34.82 -51.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.81 -44.52 63.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 131' ' ' ASP . 33.3 ttpt -64.16 -30.64 71.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -72.86 -21.3 60.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.654 HD22 ' HA ' ' A' ' 113' ' ' CYS . 28.4 mt -88.87 -32.23 17.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.62 -46.27 85.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.423 ' C ' ' OE1' ' A' ' 138' ' ' GLU . 0.9 OUTLIER -72.61 -39.63 67.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 24.9 mmm -54.57 -45.2 73.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.466 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 3.0 t-105 -64.79 -45.44 86.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -58.03 -31.46 67.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -103.6 42.05 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 30.9 m -121.36 137.0 54.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -82.26 143.82 31.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -45.57 -38.57 6.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -53.36 -49.56 66.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -63.11 -13.24 34.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.431 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 70.6 mttt -101.82 9.06 41.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.528 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.4 tt0 -55.92 -58.61 15.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.59 0.71 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.81 -38.73 7.3 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.632 2.221 . . . . 0.0 112.342 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.424 ' O ' HD12 ' A' ' 111' ' ' LEU . 28.8 m-85 -64.59 -39.31 93.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -77.4 -60.67 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 149' ' ' GLN . 31.6 mmtt -42.23 -47.93 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -61.75 -55.02 34.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.2 -29.68 61.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.14 96.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -57.6 -47.94 80.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.57 -40.93 89.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -60.61 -50.58 72.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 164' ' ' LYS . 28.7 mm-40 -40.48 -44.39 2.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -41.78 96.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.959 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.602 ' O ' HG22 ' A' ' 166' ' ' ILE . 13.1 t80 -68.39 -56.77 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -55.02 -35.06 64.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 160' ' ' GLU . 0.0 OUTLIER -74.16 -45.36 49.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.87 -42.88 99.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 162' ' ' TYR . 6.9 tt -69.75 -30.57 45.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -56.8 -26.91 58.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -94.61 -33.5 12.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -48.31 -57.1 6.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 9.1 ptm180 -92.31 -45.06 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 170' ' ' ARG . . . 68.08 44.83 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -52.24 -54.42 31.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 179.926 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.6 p -174.54 110.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.383 . . . . 0.0 110.899 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -53.88 168.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.87 179.94 17.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -166.17 136.33 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.87 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -137.82 129.31 28.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.46 -87.25 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.8 ttm -45.57 -45.59 13.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.94 77.16 2.07 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -129.45 109.68 11.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.37 -74.41 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.98 144.5 41.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 0.84 5.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -40.87 -52.83 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -58.2 112.26 4.64 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.547 0.689 . . . . 0.0 110.905 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 178.3 4.72 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.24 . . . . 0.0 112.353 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -140.61 147.68 39.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 19' ' ' LYS . . . 168.95 -46.05 0.22 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.536 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 5.4 mtmp? -37.38 130.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.723 0.296 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.539 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 21.0 mtp -126.21 145.12 50.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -87.94 174.69 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.9 m -48.83 -49.19 40.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.462 ' O ' HG23 ' A' ' 27' ' ' VAL . 57.1 t80 -65.09 -57.18 9.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.14 -38.69 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 6.6 m-85 -80.86 -53.19 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -47.99 -23.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 23' ' ' TYR . 66.9 t -75.93 -33.69 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.425 ' HG3' ' NE ' ' A' ' 31' ' ' ARG . 18.6 tt0 -92.18 -16.82 25.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.2 m -75.24 -24.4 57.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.6 m -92.85 -40.96 10.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.479 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 14.9 ptt180 -59.77 -46.65 88.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 15.1 mm-40 -60.5 -43.02 97.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -60.74 -29.15 69.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -71.23 -56.07 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HE2' ' N ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -46.75 -20.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -84.02 -38.06 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -78.3 -47.24 18.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.593 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . 24.4 m-70 -133.94 94.89 17.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -47.51 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.712 2.275 . . . . 0.0 112.364 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -92.98 33.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.593 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . . . -77.9 169.63 17.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.1 p -107.29 56.65 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.459 HG11 ' NZ ' ' A' ' 35' ' ' LYS . 11.8 p -93.92 134.41 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -103.03 136.83 42.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.408 ' CD2' ' N ' ' A' ' 46' ' ' SER . 10.4 p90 -50.64 -56.67 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.408 ' N ' ' CD2' ' A' ' 45' ' ' PHE . 32.8 t -55.96 -55.64 30.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -51.97 -33.63 38.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -78.49 -25.72 45.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 t -72.99 -55.87 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -60.38 -21.36 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -79.63 -33.59 41.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 m -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.9 t -66.7 -59.7 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.477 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 7.8 pt-20 -67.98 -20.88 65.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' O ' HG22 ' A' ' 58' ' ' THR . 75.3 mtt-85 -80.6 -35.99 33.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.584 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 28.4 t-105 -72.95 -36.74 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 54' ' ' GLU . 12.7 ptmm? -72.25 -37.0 69.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 55' ' ' ARG . 4.6 t -76.09 -2.61 31.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.2 mtm -85.54 116.99 24.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.7 p -58.06 158.25 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.56 -38.9 21.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.8 mtmm -57.84 -38.87 76.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -72.32 -30.25 64.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.499 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 77.6 mttt -82.47 -28.23 31.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -43.28 -64.95 1.6 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -50.69 -50.96 53.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.488 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 15.8 m-85 -53.38 -39.39 64.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -62.4 -36.22 81.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -73.79 -61.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.417 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 6.1 mtm -48.52 -51.07 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.12 -44.61 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.48 ' O ' ' CG ' ' A' ' 75' ' ' LYS . 33.9 mtmt -57.21 -28.92 63.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 70' ' ' MET . . . -62.58 -31.72 72.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 75' ' ' LYS . 1.1 p-10 -55.56 -23.23 25.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -59.29 -22.13 60.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.08 -60.92 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 2.2 ppt_? -49.01 -31.41 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.536 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 15.2 t80 -67.97 -43.87 77.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -43.58 -32.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 18.8 ttm105 -54.3 -41.29 68.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.487 ' O ' HG22 ' A' ' 84' ' ' THR . 43.8 mt-10 -62.25 -18.89 62.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.9 ttm -71.53 -8.85 56.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -33.71 76.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 81' ' ' GLU . 14.9 t -86.85 -26.12 24.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.163 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.554 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 13.2 t80 -40.67 153.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.554 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 24.2 mt -141.97 111.63 6.18 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 0.0 111.087 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 164.71 33.56 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.47 6.72 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.75 2.3 . . . . 0.0 112.356 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -66.91 116.79 8.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -164.23 -160.44 11.96 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.02 91.21 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.951 0.405 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 93' ' ' LYS . 94.6 m -163.13 159.96 23.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.175 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.529 ' N ' HG22 ' A' ' 92' ' ' THR . 33.9 mtpt -94.44 92.87 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.1 163.91 38.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -86.74 170.98 11.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -66.05 -179.7 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -107.05 171.87 7.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.469 ' N ' ' HD2' ' A' ' 97' ' ' LYS . 5.2 t70 -100.5 108.22 52.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.552 0.691 . . . . 0.0 110.85 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -23.94 30.15 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -62.46 -46.13 89.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -39.47 138.88 0.91 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.566 0.698 . . . . 0.0 111.082 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.82 4.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.645 2.23 . . . . 0.0 112.33 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.0 151.88 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -95.33 142.9 25.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.63 0.729 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.76 33.35 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.393 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 151.39 69.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -100.73 169.66 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.27 -46.86 46.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.485 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 6.1 t80 -65.31 -33.6 76.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 114' ' ' SER . 8.4 t80 -75.44 -32.59 60.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.3 mt -69.16 -48.79 61.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.531 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 1.5 t80 -64.8 -58.51 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.669 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.7 p -54.92 -31.3 60.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 14.2 t -74.55 -35.76 63.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -78.91 -21.89 46.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -96.43 -17.27 20.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.634 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 11.5 ttp180 -56.36 -52.33 73.96 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.582 0.706 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.5 Cg_endo -69.74 -1.61 8.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.364 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -103.78 -36.73 7.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 21.1 pt -91.41 -37.98 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -56.54 -37.3 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.46 -30.11 41.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.536 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -73.69 -45.9 49.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.648 ' CB ' HD12 ' A' ' 127' ' ' LEU . 15.6 m-70 -109.85 88.82 7.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.553 0.692 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.5 Cg_endo -69.76 -6.32 18.32 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -91.26 -40.15 5.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.648 HD12 ' CB ' ' A' ' 124' ' ' HIS . 22.2 mt -57.48 127.41 31.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 129' ' ' ILE . 82.8 p -100.66 162.43 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 128' ' ' SER . 18.3 mt -36.5 -37.63 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.32 -52.86 43.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 134' ' ' LYS . 2.3 m-20 -71.11 -58.33 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 131' ' ' ASP . 54.5 t -34.28 -44.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.05 89.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 131' ' ' ASP . 31.5 tptt -62.9 -23.0 67.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -76.41 -30.41 57.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.669 HD13 ' HB2' ' A' ' 113' ' ' CYS . 10.0 mt -88.77 -39.22 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -52.65 -39.81 54.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -81.43 -36.31 29.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.1 -42.29 98.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.531 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 13.0 t-105 -68.46 -35.11 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -72.19 -27.53 62.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -89.17 -36.42 15.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 20.6 m -42.72 148.95 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -81.6 152.54 27.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.52 83.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -57.38 -36.2 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.78 -19.44 62.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.474 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 27.2 mttp -92.75 -18.39 22.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.515 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.7 tt0 -34.78 -59.09 0.63 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.523 0.677 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.8 Cg_endo -69.77 -45.16 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.655 2.237 . . . . 0.0 112.379 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 15.0 m-85 -53.63 -31.65 48.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.01 -53.79 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -50.24 -36.9 33.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -75.61 -50.9 14.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -55.86 -18.41 8.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -75.74 -60.9 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 158' ' ' LEU . 12.7 pttt -49.71 -38.58 33.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.482 ' N ' ' HG3' ' A' ' 157' ' ' LYS . 12.6 mt -59.54 -40.51 87.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -48.38 -39.42 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -51.95 -53.08 45.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -50.29 -24.92 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -88.82 -48.88 7.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.06 -39.75 66.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -68.71 -39.25 80.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -67.9 -46.57 71.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 15.3 tt -70.06 -25.93 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -55.66 -29.54 59.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -93.48 -35.73 12.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -43.84 -48.91 8.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 171' ' ' ALA . 16.0 ptt85 -84.93 -40.97 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 170' ' ' ARG . . . 36.34 44.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -73.6 103.22 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -161.68 130.29 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t -67.59 -43.8 79.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.38 94.34 2.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.455 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m -88.34 -54.26 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -76.02 145.92 39.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.823 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.67 48.48 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.441 ' SD ' ' N ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER -172.31 155.12 3.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 110.839 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.441 ' N ' ' SD ' ' A' ' 8' ' ' MET . . . -70.26 168.32 48.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.476 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -163.77 139.61 6.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.59 70.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -132.35 151.81 78.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.621 0.724 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 0.54 5.52 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.12 -46.62 45.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -67.29 121.68 79.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.547 0.689 . . . . 0.0 110.943 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' ARG . 54.4 Cg_endo -69.68 7.38 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' PRO . 29.7 ptt180 34.5 41.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.98 -51.95 55.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.529 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 23.1 mtmt -45.83 135.11 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.614 ' HE3' ' CG ' ' A' ' 25' ' ' PHE . 8.8 mtm -132.63 172.66 12.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -108.71 -176.65 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -57.04 -48.95 77.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 27' ' ' VAL . 84.7 t80 -64.65 -60.24 3.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.464 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -41.24 -40.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CG ' ' HE3' ' A' ' 20' ' ' MET . 9.7 m-85 -78.32 -55.0 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -47.48 -31.76 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 23' ' ' TYR . 87.2 t -73.11 -32.21 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -92.29 -15.43 27.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.0 m -86.71 -46.64 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.5 p -67.82 -33.87 75.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -59.69 -46.14 89.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 50.0 mm-40 -71.99 -48.27 46.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -49.84 -31.73 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -68.73 -60.43 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.22 -25.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -82.41 -40.54 21.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -69.45 -43.78 72.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -134.8 94.67 16.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.7 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.638 2.225 . . . . 0.0 112.372 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.85 -37.96 60.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.22 124.59 23.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.8 m -104.14 95.63 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.501 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 12.0 p -90.2 128.7 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -67.44 160.08 28.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -84.08 -47.97 10.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -57.64 -46.92 83.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.564 ' CD ' ' N ' ' A' ' 48' ' ' PHE . 2.1 pp20? -62.61 -45.7 91.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.564 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 11.9 t80 -53.89 -26.11 23.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.2 t -71.7 -50.81 26.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -61.15 -19.56 61.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -87.29 -57.42 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.0 p -46.97 -25.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.6 t -67.62 -71.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.22 -17.67 64.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -84.01 -22.18 31.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.582 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 24.1 t-105 -88.72 -36.7 16.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -70.0 -27.22 64.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.2 t -88.41 7.41 32.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.9 mtp -94.57 112.66 24.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.5 m -53.22 155.97 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.09 -38.22 11.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -56.47 -48.81 76.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.73 -51.16 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.57 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 92.4 mttt -61.37 -34.04 74.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -34.99 -66.95 0.3 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.546 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 7.9 ptpp? -48.03 -31.69 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.338 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.61 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 81.4 m-85 -83.83 -23.13 31.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -81.61 -20.81 38.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -93.62 -36.32 12.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.61 ' HE3' ' HA ' ' A' ' 67' ' ' PHE . 8.8 ptp -75.2 -23.09 57.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.37 -45.22 23.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 7.5 ptmt -60.39 -35.4 75.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -57.79 -31.58 66.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -55.91 -37.87 69.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -39.03 -36.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.9 -58.39 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -12.98 3.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.529 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 3.2 t80 -76.0 -37.87 58.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -53.4 -50.81 64.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -49.7 -38.01 31.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.19 -35.37 80.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 38.1 mmm -63.96 -23.48 67.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -53.81 -58.67 6.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.0 p -56.07 -22.21 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.606 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.2 OUTLIER -83.13 96.8 8.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.633 HG23 ' HE2' ' A' ' 94' ' ' LYS . 64.1 mt -114.24 99.76 51.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.562 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.0 Cg_endo -69.72 167.53 24.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 89' ' ' LYS . 54.3 Cg_endo -69.73 -174.22 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.38 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' PRO . 13.0 mmtt -34.35 99.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -178.12 -55.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -54.8 165.49 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 81.0 p -41.98 164.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -48.87 113.01 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.633 ' HE2' HG23 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -146.19 142.45 28.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 94' ' ' LYS . 35.8 mttt -36.77 101.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.406 ' CD1' ' HE2' ' A' ' 89' ' ' LYS . 46.6 p90 -108.84 126.06 52.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -126.53 90.44 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -132.78 77.4 68.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.72 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -10.62 29.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.316 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -97.4 -32.54 11.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.16 140.43 96.1 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.7 . . . . 0.0 111.119 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -165.31 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.63 2.22 . . . . 0.0 112.359 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.53 140.3 53.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -86.04 121.84 72.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.79 18.07 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 170.04 17.55 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.633 2.222 . . . . 0.0 112.311 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.1 m -126.99 171.52 11.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.39 -64.41 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.501 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 10.7 t80 -45.39 -51.59 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -57.57 -43.02 84.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.85 -56.26 18.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.657 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.3 OUTLIER -57.34 -47.61 81.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.423 ' HA ' HD22 ' A' ' 136' ' ' LEU . 1.4 p -65.67 -32.9 74.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.2 m -71.67 -18.32 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -99.37 -15.88 18.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.623 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 3.1 m-85 -97.07 -40.83 8.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.577 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 0.4 OUTLIER -44.04 -55.26 9.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 110.884 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.2 Cg_endo -69.76 -16.37 37.54 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.353 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -88.28 -30.1 19.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 121' ' ' LYS . 12.4 pt -94.26 -47.15 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.469 ' N ' HG13 ' A' ' 120' ' ' ILE . 0.8 OUTLIER -44.0 -41.13 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.71 -36.53 75.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.472 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -71.86 -40.8 68.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -112.19 90.47 13.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.599 0.714 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -9.64 26.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -85.39 -39.1 8.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 131' ' ' ASP . 92.4 mt -62.15 132.83 54.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 129' ' ' ILE . 23.1 t -106.5 163.29 12.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 128' ' ' SER . 51.1 mt -34.5 -38.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.09 -56.38 16.33 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.554 ' HB3' HD22 ' A' ' 127' ' ' LEU . 7.2 m-20 -65.57 -61.19 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.359 . . . . 0.0 110.817 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 131' ' ' ASP . 89.6 t -34.52 -39.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.502 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -61.05 -48.97 79.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 131' ' ' ASP . 4.4 ttpm? -53.43 -36.89 62.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 139' ' ' MET . 9.2 tptt -64.85 -31.94 73.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 133' ' ' ALA . 8.7 mt -81.62 -35.11 30.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.86 -44.43 97.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.485 ' O ' ' ND2' ' A' ' 142' ' ' ASN . 13.2 pt-20 -78.28 -46.81 19.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 14.3 mmm -44.64 -58.17 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.657 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 7.2 t-105 -52.29 -51.29 59.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -51.92 -34.47 41.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 138' ' ' GLU . 19.8 m-80 -102.04 41.35 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 48.5 m -109.4 142.37 40.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -74.66 136.97 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -51.97 -41.75 62.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -58.74 -34.0 70.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -73.14 -18.19 61.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.578 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 30.5 mttm -91.31 -24.2 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.539 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.8 tt0 -33.6 -58.09 0.56 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.4 Cg_endo -69.77 -25.93 28.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.246 . . . . 0.0 112.329 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.502 ' N ' ' O ' ' A' ' 148' ' ' LYS . 13.7 m-85 -79.76 -21.17 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -94.07 -54.25 3.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -53.52 -41.4 66.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -56.47 15.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.86 -41.26 57.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -51.15 -44.34 61.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -58.09 -46.39 85.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.14 -31.09 69.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -65.56 -48.85 71.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -45.41 -57.65 3.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.94 -34.64 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -75.07 -54.66 6.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -53.42 -33.68 54.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -70.46 -40.81 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.58 -52.1 35.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 7.9 tt -62.1 -34.13 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.57 ' O ' ' HB3' ' A' ' 171' ' ' ALA . . . -50.32 -23.52 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -96.27 -32.02 12.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -54.55 -48.91 71.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -83.52 -41.81 17.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 167' ' ' ALA . . . -88.21 46.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 171' ' ' ALA . 8.3 ptmm? -34.47 127.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -98.45 148.25 23.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -155.06 109.36 2.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.71 -147.48 12.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 p -142.6 164.43 30.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -44.87 -69.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.46 145.64 6.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.6 ptm -115.23 139.8 49.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.91 89.47 0.35 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -60.15 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.33 85.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.452 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -119.09 151.87 51.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -6.29 18.22 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 15' ' ' LYS . 24.9 mtpt -75.18 -43.7 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' LYS . 35.7 tttp -34.11 115.65 0.48 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.893 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 89.23 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.315 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 -91.71 36.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.34 151.58 16.83 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.552 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -94.41 174.1 7.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 25.4 mtp -94.94 162.76 13.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -96.17 -175.17 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -54.69 -53.34 56.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.799 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.453 ' O ' HG23 ' A' ' 27' ' ' VAL . 67.0 t80 -60.86 -62.89 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.58 -36.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 8.0 m-85 -83.15 -40.77 19.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -59.57 -33.07 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.488 HG13 ' SG ' ' A' ' 52' ' ' CYS . 45.4 t -68.38 -27.75 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.066 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.445 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 4.6 tt0 -91.54 -17.36 25.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.5 m -82.5 -32.72 28.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.1 m -84.12 -33.05 24.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' NE ' ' HA ' ' A' ' 28' ' ' GLN . 6.7 ptp180 -70.43 -37.97 74.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -73.9 -44.33 55.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.33 -34.01 70.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -58.42 -66.59 0.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -43.07 -30.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -74.0 -48.69 28.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.0 mmtt -62.77 -41.69 99.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -133.96 94.63 18.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.553 0.692 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -36.0 11.67 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.344 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.61 -34.26 69.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.77 118.82 16.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -102.91 96.16 6.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.3 p -85.75 142.07 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -80.05 152.61 29.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -70.96 -57.64 4.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -50.77 -53.62 30.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -57.09 -40.01 76.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.496 ' CE2' ' SG ' ' A' ' 52' ' ' CYS . 49.8 t80 -67.44 -35.06 78.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' A' ' 50' ' ' LYS . 3.0 p -53.56 -58.57 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' N ' ' OG ' ' A' ' 49' ' ' SER . 3.5 ptmm? -58.48 -19.49 37.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -81.78 -26.88 34.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.496 ' SG ' ' CE2' ' A' ' 48' ' ' PHE . 94.3 m -79.79 -26.86 40.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 t -70.71 -49.2 49.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -76.41 -14.65 60.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.5 mtt-85 -90.42 -28.93 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.521 ' CZ3' ' HG2' ' A' ' 64' ' ' LYS . 47.4 t-105 -77.58 -38.57 48.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -70.23 -39.71 74.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.5 t -66.68 -40.4 88.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.3 mtm -51.28 110.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.0 m -47.6 175.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.33 -27.92 69.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -70.46 -56.56 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -50.27 -29.71 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.521 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 97.0 mttt -80.2 -28.84 38.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.8 -55.13 3.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -54.26 -36.65 63.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -78.25 -28.05 47.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.2 -30.43 64.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -84.55 -42.78 15.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.1 ptp -63.23 -27.28 69.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.98 -45.78 73.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -54.39 -53.41 54.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.93 82.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.445 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 89.9 m-20 -54.28 -14.9 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -61.66 -19.26 62.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.95 -37.64 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.445 ' CG ' ' HA ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER -63.58 -29.04 70.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.552 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 1.1 p90 -50.75 -32.94 21.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -44.4 -37.57 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -48.15 -39.13 19.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -50.11 -49.05 53.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 35.1 tpp -52.73 -34.56 53.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -55.74 30.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 85' ' ' TYR . 4.1 t -82.66 11.06 6.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.548 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 1.3 t80 -32.24 135.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 mt -123.09 114.35 29.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.638 0.733 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 169.86 17.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.339 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 178.18 4.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.402 ' O ' ' CD ' ' A' ' 89' ' ' LYS . 7.3 tmtm? 60.94 52.08 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.18 -110.84 0.53 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -126.57 6.73 6.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.93 0.395 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.425 ' HB ' ' NZ ' ' A' ' 14' ' ' LYS . 2.5 m -120.02 114.14 21.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 170.15 3.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.16 168.38 12.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.891 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -121.0 150.75 40.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -95.4 116.49 28.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' A' ' 98' ' ' ASP . 1.3 tmtt? -118.08 156.27 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.451 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 0.9 OUTLIER -108.01 84.98 2.33 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.574 0.702 . . . . 0.0 110.882 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.58 18.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.272 . . . . 0.0 112.359 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -43.43 -31.27 0.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.28 132.08 95.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 111.105 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -175.29 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.398 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.99 158.14 42.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -75.14 130.85 79.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 164.26 35.22 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.97 17.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.26 . . . . 0.0 112.357 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 108' ' ' ALA . 5.2 p -118.49 154.13 33.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -34.56 -43.82 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.597 ' CE1' ' SG ' ' A' ' 113' ' ' CYS . 23.8 t80 -58.03 -61.21 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -47.35 -43.24 22.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 114' ' ' SER . 68.0 mt -60.61 -66.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.6 ' CE2' ' CZ ' ' A' ' 116' ' ' TYR . 0.4 OUTLIER -41.38 -45.0 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.855 ' HB3' HD13 ' A' ' 136' ' ' LEU . 13.4 m -67.67 -34.34 76.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 111' ' ' LEU . 11.1 t -65.1 -14.82 61.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -101.36 -31.24 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.6 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 5.2 m-85 -81.58 -35.8 29.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.582 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 7.8 ttm180 -45.67 -55.62 12.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.0 Cg_endo -69.71 -14.74 36.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.382 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -97.11 -19.36 18.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.405 HD11 ' HA ' ' A' ' 117' ' ' ARG . 3.4 pt -101.76 -48.63 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.403 ' N ' ' CG1' ' A' ' 120' ' ' ILE . 26.2 ttpp -48.51 -43.6 35.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.82 -36.25 86.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -70.0 -41.91 73.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.784 ' HB2' HD12 ' A' ' 127' ' ' LEU . 63.9 m-70 -111.86 92.89 18.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.9 Cg_endo -69.7 -7.47 21.12 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -93.61 -31.58 8.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.784 HD12 ' HB2' ' A' ' 124' ' ' HIS . 17.0 mt -60.24 134.81 57.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.8 t -107.98 166.99 10.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 56.9 mt -44.18 -36.34 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -68.52 -50.52 36.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 132' ' ' VAL . 11.7 m-20 -69.02 -58.62 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 131' ' ' ASP . 53.8 t -36.14 -45.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.85 -59.72 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.24 -36.55 9.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -63.51 -33.18 75.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.855 HD13 ' HB3' ' A' ' 113' ' ' CYS . 22.1 mt -82.38 -25.09 34.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.419 ' O ' ' ND2' ' A' ' 141' ' ' ASN . . . -68.74 -44.31 70.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.494 ' OE1' ' ND2' ' A' ' 142' ' ' ASN . 2.1 pp20? -71.52 -35.64 70.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 30.7 mtt -54.8 -64.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.535 ' CD1' ' HB2' ' A' ' 109' ' ' PHE . 1.7 t-105 -47.56 -38.78 14.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 137' ' ' GLY . 62.7 m-80 -72.66 -24.19 61.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . 0.494 ' ND2' ' OE1' ' A' ' 138' ' ' GLU . 21.3 p30 -111.29 26.91 10.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.4 m -110.97 138.9 46.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.63 144.59 45.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.044 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.84 -38.74 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -55.21 -35.33 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -73.45 -14.81 61.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -98.03 2.75 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.517 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.9 tt0 -51.06 -58.84 9.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.75 -21.57 33.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.728 2.286 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.523 ' CZ ' ' HA ' ' A' ' 112' ' ' PHE . 22.5 m-85 -85.21 -22.9 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -92.52 -53.41 4.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -51.05 -47.41 61.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -49.32 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -49.12 -30.59 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.95 -59.88 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -50.74 -26.59 5.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.84 -38.97 31.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 160' ' ' GLU . 0.3 OUTLIER -61.57 -48.63 80.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 161' ' ' LYS . 10.6 pt-20 -61.07 -50.82 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 160' ' ' GLU . 2.7 mmmp? -52.38 -21.18 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -85.82 -66.07 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -44.52 -37.09 3.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -43.04 72.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -61.49 -44.39 97.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 6.5 tt -69.71 -27.24 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -59.53 -29.76 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -85.23 -31.28 23.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -60.17 -48.21 82.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 170' ' ' ARG . 4.3 ptp180 -80.72 -50.54 9.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 170' ' ' ARG . . . -175.23 116.81 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.054 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -44.83 -50.73 10.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -106.72 155.7 19.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -132.53 93.89 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.28 -48.3 0.14 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 6' ' ' SER . 32.8 m 40.39 40.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.893 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 5' ' ' SER . 86.6 p 37.73 50.14 1.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.99 159.18 45.26 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.18 164.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.62 -118.79 0.52 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -173.63 125.43 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.403 ' N ' ' HB2' ' A' ' 91' ' ' GLU . . . -59.95 -146.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -130.63 86.87 51.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.636 0.731 . . . . 0.0 110.907 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -90.3 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.723 2.282 . . . . 0.0 112.362 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 15' ' ' LYS . 22.2 mtmt -82.45 -5.51 58.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HG2' ' CE2' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -33.03 126.78 0.4 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.587 0.708 . . . . 0.0 110.877 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 108.78 2.17 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -82.11 40.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' LYS . . . 115.05 148.98 9.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.591 ' HB3' ' CD2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -49.04 -179.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.7 mtp -111.14 176.14 5.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' SER . 3.6 t -93.32 156.78 16.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' SER . 1.9 m -36.69 -67.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.481 ' CD1' ' CG ' ' A' ' 56' ' ' TRP . 39.8 t80 -51.97 -46.08 64.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.946 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.48 -34.78 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -80.95 -44.12 18.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -55.23 -16.89 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.0 t -92.38 -26.93 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -91.95 -23.52 19.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 m -77.17 -64.98 1.01 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.5 m -51.34 -40.78 59.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 7.4 ptm180 -64.83 -38.24 90.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 36' ' ' LYS . 6.2 mm-40 -78.46 -21.46 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -80.89 -32.84 34.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LYS . 3.0 t60 -59.84 -57.54 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -39.54 -29.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.4 OUTLIER -80.51 -41.32 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' HIS . 17.7 mmtp -69.75 -43.2 72.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.583 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 15.6 m-70 -134.73 93.99 17.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.612 0.72 . . . . 0.0 110.826 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.358 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.83 33.79 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.583 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . . . -89.43 178.59 6.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.8 m -127.78 101.99 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 p -126.31 144.22 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -103.62 179.43 4.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -98.42 -50.87 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -64.06 -20.59 66.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -85.64 -43.86 13.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 7.6 t80 -64.41 -23.49 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -82.95 -42.12 18.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.9 pttt -72.57 -20.99 61.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -86.49 -38.56 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.4 p -69.28 -24.63 63.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -75.85 -40.2 55.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -84.01 -14.03 51.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' HA ' HG22 ' A' ' 58' ' ' THR . 43.3 mtt-85 -91.17 -45.85 8.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.576 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 41.4 t-105 -58.51 -33.1 69.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.21 -40.04 46.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.941 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 58' ' ' THR . 1.2 t -80.21 12.69 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.9 mtm -95.6 111.83 23.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 64.7 m -47.21 161.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.88 -29.99 56.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.3 tptp -68.58 -52.45 31.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -51.92 -35.38 45.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 90.8 mttt -80.6 -32.61 36.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LYS . . . -36.6 -54.7 1.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.451 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -54.37 -56.35 19.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 31.0 m-85 -54.96 -33.78 62.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.93 -32.06 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -79.74 -39.44 31.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.401 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 5.0 mtm -70.3 -43.07 71.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 22' ' ' SER . . . -60.86 -48.25 82.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.453 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 13.3 pttm -64.55 -45.4 87.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.453 ' N ' ' CG ' ' A' ' 72' ' ' LYS . . . -70.05 -29.76 66.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.09 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.476 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 52.1 m-20 -61.35 -8.83 4.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -62.41 -25.23 67.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.42 -19.43 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.476 ' CG ' ' HA ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -86.27 -15.55 40.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.591 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -80.1 -28.64 39.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.481 ' HG2' ' CZ ' ' A' ' 78' ' ' TYR . 30.9 mt-10 -76.02 -14.82 60.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -88.89 -55.9 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.823 ' O ' HG22 ' A' ' 84' ' ' THR . 17.9 pt-20 -42.18 -35.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.6 tpp -37.61 -28.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 81' ' ' GLU . 2.7 ptmm? -62.48 -48.84 77.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.823 HG22 ' O ' ' A' ' 81' ' ' GLU . 14.9 t -61.63 -16.1 45.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.214 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.55 ' CE1' ' HD3' ' A' ' 87' ' ' PRO . 0.7 OUTLIER -84.07 108.81 17.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.558 HG21 ' CG ' ' A' ' 98' ' ' ASP . 60.4 mt -118.03 95.03 47.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 111.16 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.55 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.7 146.51 60.78 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -173.0 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.68 124.13 31.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -154.62 -118.82 0.67 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' HB2' ' N ' ' A' ' 11' ' ' GLY . 71.3 mt-10 -51.24 -179.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 61.4 p -98.19 131.83 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 94' ' ' LYS . 10.9 mtmt -170.5 -175.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' LYS . 38.4 ttpt -32.58 145.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -59.62 127.63 32.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -175.08 148.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -161.04 144.51 13.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.558 ' CG ' HG21 ' A' ' 86' ' ' ILE . 14.4 t70 -129.54 102.36 18.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.567 0.698 . . . . 0.0 110.833 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 98' ' ' ASP . 53.3 Cg_endo -69.78 -15.02 36.81 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.676 2.251 . . . . 0.0 112.29 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -80.06 -28.17 39.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.72 138.02 23.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.556 0.694 . . . . 0.0 111.099 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.64 3.06 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.468 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 0.4 OUTLIER -110.7 152.23 26.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.0 mtm105 -103.15 142.83 25.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.674 0.75 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 166.59 27.05 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.691 2.261 . . . . 0.0 112.382 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 165.05 32.34 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 109' ' ' PHE . 41.9 p -111.63 154.79 24.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -37.4 -32.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.522 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 7.7 t80 -73.51 -55.86 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -57.36 -36.81 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 43.3 mt -63.1 -55.04 28.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.547 ' HB2' ' CE2' ' A' ' 151' ' ' TYR . 0.9 OUTLIER -56.61 -55.7 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.949 ' HB2' HD13 ' A' ' 136' ' ' LEU . 4.1 p -59.5 -31.15 69.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 t -65.9 -24.09 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -90.26 -23.4 21.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -98.51 -11.86 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.644 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 13.6 ttp180 -60.23 -52.3 74.16 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.63 0.729 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.1 Cg_endo -69.78 3.22 2.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -103.24 -50.41 3.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.492 ' CD1' HD21 ' A' ' 136' ' ' LEU . 9.3 pt -80.27 -37.93 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -51.6 -36.82 47.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.82 -16.4 75.27 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -87.26 -42.99 12.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -112.58 92.2 19.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.542 0.687 . . . . 0.0 110.83 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 1.71 4.16 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -98.98 -41.03 3.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.3 mt -52.42 119.61 4.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 130' ' ' GLY . 89.7 p -90.43 159.26 16.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' SER . 28.7 mt -33.71 -36.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 128' ' ' SER . . . -72.43 -54.35 7.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 132' ' ' VAL . 9.0 m-20 -60.04 -58.23 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ASP . 56.8 t -36.27 -51.88 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.54 20.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -53.1 -20.82 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 16.4 tptm -78.77 -42.64 27.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.949 HD13 ' HB2' ' A' ' 113' ' ' CYS . 5.7 mt -74.4 -12.16 60.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.36 -38.51 95.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 0.7 OUTLIER -66.67 -40.78 88.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.377 . . . . 0.0 110.908 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -57.58 -57.74 11.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.522 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 2.3 t-105 -52.58 -37.37 57.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -74.76 -29.59 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -103.72 27.54 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.5 m -120.07 109.37 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -44.24 139.34 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -54.01 -25.93 23.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -59.37 -36.48 75.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -71.2 -22.79 61.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.481 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 75.6 mttt -86.88 -4.48 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.507 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 4.2 tt0 -43.23 -59.63 3.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.538 0.685 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.8 Cg_endo -69.79 -26.77 27.1 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.354 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 10.6 m-85 -74.11 -27.79 61.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -91.53 -50.86 5.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -51.22 -41.03 60.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -68.08 -63.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -41.35 -37.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -53.68 -62.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -43.52 -57.95 2.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 78.8 mt -44.93 -46.54 11.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -43.07 -57.11 3.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -40.9 -43.32 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -60.74 -45.58 93.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 103' ' ' LYS . 37.6 t80 -66.94 -46.23 75.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.709 ' O ' ' HB2' ' A' ' 167' ' ' ALA . 58.2 mt-10 -51.7 -24.23 5.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -77.99 -50.55 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -60.14 -44.68 94.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.43 HD12 ' OH ' ' A' ' 162' ' ' TYR . 7.4 tt -75.26 -25.85 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.064 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 163' ' ' GLU . . . -57.42 -36.29 71.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -84.77 -19.62 32.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -68.18 -49.3 61.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -75.71 -41.19 54.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -88.47 80.75 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -49.25 115.79 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -124.55 116.9 23.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -53.32 162.41 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.04 -155.22 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -167.81 137.98 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.809 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -73.09 112.16 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.42 -57.85 14.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -57.16 159.44 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.47 -66.94 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -40.3 161.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.29 -95.31 0.83 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -121.47 157.21 56.96 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.596 0.712 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -20.51 34.79 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.334 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -56.97 -57.17 13.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -58.47 113.8 7.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 110.918 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 152.7 69.55 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -110.14 134.45 52.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.03 -90.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.579 ' HG2' ' CD2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -49.65 179.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.889 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.573 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 46.0 mtp -145.9 152.17 39.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' SER . 84.3 p -78.55 155.75 29.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' SER . 0.9 OUTLIER -36.0 -47.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 -179.806 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.499 ' O ' HG23 ' A' ' 27' ' ' VAL . 57.6 t80 -66.67 -56.35 11.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 20' ' ' MET . . . -42.24 -42.2 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.043 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 2.5 m-85 -80.94 -49.16 11.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.545 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -51.09 -33.41 25.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 23' ' ' TYR . 84.1 t -69.56 -32.83 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -91.5 -19.58 22.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.9 m -82.93 -48.9 10.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 m -65.82 -34.01 77.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 14.0 ptt180 -72.73 -44.73 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 33' ' ' GLU . 4.3 pt-20 -67.21 -46.74 72.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 10.3 mt-10 -52.0 -37.13 52.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' LYS . 8.9 t60 -60.52 -63.58 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' N ' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -38.31 -31.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.906 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' HIS . 1.9 mptp? -77.28 -47.32 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' HIS . 26.3 mmtm -63.08 -43.02 99.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 29.5 m-70 -134.2 94.36 18.11 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.54 0.686 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.9 Cg_endo -69.74 -45.66 1.52 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -54.92 -42.19 71.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.19 126.92 29.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -106.92 104.74 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.9 p -99.08 133.31 42.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -74.6 162.82 28.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -89.32 -51.22 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 m -53.88 -44.34 70.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -67.66 -50.66 56.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 15.8 t80 -41.76 -36.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -53.78 -45.07 70.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.86 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -77.66 -60.54 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.5 p -47.96 -31.42 5.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.1 t -68.17 -61.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -63.36 -24.16 67.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.471 ' HA ' ' CG2' ' A' ' 58' ' ' THR . 26.9 mtt-85 -82.84 -32.72 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.489 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 35.1 t-105 -67.8 -38.02 82.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -72.34 -51.38 20.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.504 HG23 ' N ' ' A' ' 59' ' ' MET . 6.0 t -55.84 -48.29 75.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.504 ' N ' HG23 ' A' ' 58' ' ' THR . 5.4 mtm -35.72 120.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 90.8 p -65.03 154.26 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.13 -44.53 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.067 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -49.82 -56.46 10.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -52.91 -60.05 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 81.1 mttt -49.74 -36.83 26.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -42.15 -72.48 0.28 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 3.4 pttm -47.26 -36.34 8.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.324 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.545 ' CD1' ' HB2' ' A' ' 26' ' ' PHE . 25.2 m-85 -70.74 -29.29 65.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -79.6 -42.65 24.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -65.55 -36.79 84.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 17.0 ptp -76.77 -35.74 57.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.98 -45.77 63.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 12.3 ptmt -56.18 -34.64 66.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -48.94 -42.06 35.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.02 -35.38 76.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.14 -38.62 3.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.66 -67.35 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.44 -25.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 19' ' ' LYS . 2.1 t80 -79.82 -36.79 36.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -52.4 -37.3 56.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -38.82 -46.61 1.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.1 -51.69 68.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 85' ' ' TYR . 29.0 tpp -43.24 -36.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -41.52 -47.32 3.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.7 p -70.6 -28.01 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 2.7 t80 -45.5 139.33 3.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.456 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 20.6 mt -134.88 102.23 11.26 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.602 0.715 . . . . 0.0 111.134 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 169.87 17.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.73 23.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.246 . . . . 0.0 112.37 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 44.08 46.28 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.55 -177.07 50.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.451 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.58 146.86 46.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.915 0.388 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' LYS . 7.8 t -81.96 161.25 23.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.169 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' THR . 70.3 mttt -34.63 133.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -75.09 175.07 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -52.56 178.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 97' ' ' LYS . 38.4 m-85 -125.34 143.7 50.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.482 ' HD2' ' C ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -48.23 178.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -110.06 94.57 18.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.553 0.692 . . . . 0.0 110.849 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -25.51 28.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.399 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.484 ' O ' ' CE2' ' A' ' 169' ' ' TYR . 24.4 m-20 -83.17 21.23 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.549 ' HB1' ' HD2' ' A' ' 102' ' ' PRO . . . -56.6 159.33 6.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 111.124 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.549 ' HD2' ' HB1' ' A' ' 101' ' ' ALA . 53.9 Cg_endo -69.76 150.8 68.7 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.446 ' N ' ' HE3' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -61.05 144.21 53.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -89.33 147.34 38.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.659 0.743 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 167.37 24.6 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.688 2.258 . . . . 0.0 112.379 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 179.09 3.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.722 2.281 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -123.3 175.83 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.37 -53.52 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.489 ' HB2' ' NE1' ' A' ' 140' ' ' TRP . 14.0 t80 -45.0 -70.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 109' ' ' PHE . 52.5 t80 -37.9 -42.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.21 -44.27 76.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 113' ' ' CYS . 0.7 OUTLIER -66.07 -54.91 19.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.523 ' HB2' HD13 ' A' ' 136' ' ' LEU . 0.8 OUTLIER -60.72 -34.36 74.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.4 t -71.52 -33.2 68.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -82.33 -21.72 35.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -93.54 -30.92 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.652 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 8.4 ttp180 -43.59 -51.75 15.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.1 Cg_endo -69.83 -19.5 35.7 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.348 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -85.51 -68.31 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 121' ' ' LYS . 41.7 pt -51.32 -36.34 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.445 ' N ' HG13 ' A' ' 120' ' ' ILE . 26.2 ttpp -57.78 -47.27 83.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -65.99 -38.65 94.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.82 -42.8 90.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 36.3 m-70 -110.11 94.62 18.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.8 Cg_endo -69.75 3.17 2.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.378 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -104.97 -41.8 1.9 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.44 ' HB3' HG22 ' A' ' 132' ' ' VAL . 69.8 mt -48.27 124.72 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.355 . . . . 0.0 110.913 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 129' ' ' ILE . 49.9 m -97.39 158.51 15.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 128' ' ' SER . 43.1 mt -33.99 -39.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.24 -53.96 12.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 132' ' ' VAL . 20.4 m-20 -66.18 -54.88 19.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' ' 127' ' ' LEU . 98.6 t -35.96 -44.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.04 -51.69 68.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.436 ' HE3' ' N ' ' A' ' 134' ' ' LYS . 0.1 OUTLIER -46.25 -39.41 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.1 -33.94 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 113' ' ' CYS . 16.5 mt -86.59 -24.59 25.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -67.75 -41.25 89.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.76 -42.93 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 37.6 mtp -46.52 -54.29 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.553 ' CH2' ' HG2' ' A' ' 148' ' ' LYS . 5.3 t-105 -54.29 -50.32 67.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -50.49 -39.64 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -100.4 38.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 66.0 m -111.27 134.6 52.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.57 162.28 25.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.39 87.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.94 -48.88 60.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.463 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 9.7 t70 -60.59 -18.23 51.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.553 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 59.9 mttt -102.16 19.27 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.537 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.3 tt0 -68.5 -57.46 8.49 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 110.948 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.7 Cg_endo -69.79 -34.53 14.28 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.413 ' CE2' ' HB2' ' A' ' 112' ' ' PHE . 26.0 m-85 -67.95 -36.19 79.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -77.04 -52.52 9.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 35.6 mttt -53.72 -51.5 63.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.83 -59.91 4.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -37.11 -36.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -53.21 -50.26 65.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.088 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -54.2 -51.37 64.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 159' ' ' LYS . 20.9 mt -49.78 -54.48 18.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 158' ' ' LEU . 31.6 tttp -37.03 -42.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -40.26 -51.16 2.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -52.58 -52.4 55.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.573 ' O ' HG22 ' A' ' 166' ' ' ILE . 31.8 t80 -61.1 -47.89 84.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.67 -37.77 76.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -75.39 -37.86 60.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -67.88 -50.18 57.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 162' ' ' TYR . 5.3 tt -59.02 -48.45 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.571 ' O ' ' HB3' ' A' ' 171' ' ' ALA . . . -36.96 -45.71 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -78.45 -35.42 46.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.484 ' CE2' ' O ' ' A' ' 100' ' ' ASN . 8.0 t80 -51.51 -40.04 58.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.427 ' NH1' ' HA ' ' A' ' 167' ' ' ALA . 0.8 OUTLIER -115.54 -23.7 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 167' ' ' ALA . . . -130.4 71.12 1.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -43.55 -47.25 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.926 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 t -90.99 148.26 22.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.96 0.41 . . . . 0.0 110.809 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 p -53.64 -56.36 17.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.97 -114.9 0.84 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -174.72 161.74 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -150.17 142.32 24.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.14 158.97 30.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.3 ttt -113.2 -64.04 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.75 159.38 8.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' ASP . 37.7 mtpt -154.27 175.97 12.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' LYS . . . -36.52 96.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 10' ' ' LYS . 14.7 m-20 -161.14 154.28 17.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -10.87 29.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -65.73 -33.7 76.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.459 ' C ' ' H ' ' A' ' 17' ' ' ARG . 24.7 mtpt -87.48 108.93 22.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.915 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.599 ' HG2' ' HE3' ' A' ' 82' ' ' MET . 53.5 Cg_endo -69.79 16.34 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.262 . . . . 0.0 112.315 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 9.4 ptp180 -82.29 37.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.94 102.11 0.22 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.649 ' HD3' ' CD2' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -51.86 -174.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.309 . . . . 0.0 110.931 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.425 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 41.3 mtp -133.13 143.69 49.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -96.9 157.07 16.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.2 p -38.47 -45.24 1.02 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -61.07 -57.4 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.47 -39.91 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 17.5 m-85 -77.8 -57.99 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.4 OUTLIER -45.12 -42.52 8.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.2 -30.02 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.39 -14.38 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.8 m -83.05 -35.97 25.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.7 p -77.86 -34.28 51.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -68.82 -37.4 79.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.539 ' CG ' ' N ' ' A' ' 33' ' ' GLU . 8.0 pt-20 -71.7 -50.28 31.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.539 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 11.3 mt-10 -54.01 -39.86 66.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' LYS . 53.8 t60 -64.16 -67.73 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -41.52 -24.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' HIS . 17.0 mmmt -81.27 -45.99 15.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -67.47 -42.53 82.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 14.6 m-70 -132.94 94.52 20.71 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.592 0.71 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 54.5 Cg_endo -69.68 -45.36 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.7 2.267 . . . . 0.0 112.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -59.38 -40.09 85.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.44 106.81 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.2 m -92.54 89.53 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 p -90.14 141.7 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -76.7 176.23 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 46' ' ' SER . 25.8 p90 -88.91 -47.7 7.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.463 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 25.5 t -61.83 -39.14 90.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.05 -41.29 99.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -75.41 -34.75 61.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m -60.53 -58.28 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -57.7 -25.29 60.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.75 -43.11 26.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.0 p -67.75 -29.81 69.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.2 t -66.37 -49.53 66.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -77.61 -21.23 52.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.523 ' HA ' HG22 ' A' ' 58' ' ' THR . 78.6 mtt180 -82.97 -23.98 33.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.497 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 48.1 t-105 -80.53 -35.48 34.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -80.22 -30.2 38.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 55' ' ' ARG . 14.1 t -75.03 -27.69 60.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.3 mtm -64.97 128.09 34.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.2 m -68.25 168.37 12.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.07 -49.29 66.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -48.64 -38.2 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -70.9 -44.35 66.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 71.0 mttt -69.02 -25.42 64.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -38.93 -67.72 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.4 pttm -56.74 -37.51 71.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 26' ' ' PHE . 33.5 m-85 -67.08 -23.16 65.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -78.33 -47.37 17.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -70.63 -55.82 7.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.481 ' HB3' ' HE2' ' A' ' 70' ' ' MET . 8.7 ptp -48.65 -31.56 6.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.73 75.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -55.85 -37.53 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.61 -38.02 30.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LYS . 13.0 t70 -42.28 -46.85 4.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' ASP . 22.5 tttm -37.82 -42.84 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.97 -64.54 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -12.47 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.661 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -69.89 -30.19 67.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -83.31 -37.23 23.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -67.51 -32.91 74.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.415 ' O ' HG22 ' A' ' 84' ' ' THR . 24.2 mm-40 -54.18 -47.58 71.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.599 ' HE3' ' HG2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -38.06 -37.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.529 ' CG ' ' N ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -51.83 -49.64 62.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.529 ' N ' ' CG ' ' A' ' 83' ' ' LYS . 11.1 t -86.94 14.23 7.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.489 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 15.3 t80 -40.29 156.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.489 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 20.3 mt -140.54 111.34 6.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.639 0.733 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 160.29 50.23 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -170.58 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.724 2.283 . . . . 0.0 112.318 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -46.73 97.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -134.39 -28.71 0.46 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.447 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -140.15 179.42 6.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.951 0.405 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.2 m -61.05 121.35 12.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -142.85 -176.62 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.24 -26.51 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.34 151.26 21.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -108.58 151.97 25.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -107.07 -179.45 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -118.37 80.99 16.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.54 0.686 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -10.19 27.91 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -70.82 -39.74 72.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.99 140.7 3.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.571 0.701 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 138.59 38.2 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.324 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -80.2 162.07 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -88.14 141.29 30.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.557 0.694 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 169.7 18.33 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.73 2.287 . . . . 0.0 112.331 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.538 ' HB2' ' CD1' ' A' ' 110' ' ' PHE . 54.0 Cg_endo -69.74 171.12 15.02 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.695 2.263 . . . . 0.0 112.356 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.3 p -115.11 178.73 4.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.62 -37.44 63.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.137 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.48 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 3.0 t80 -62.75 -48.34 79.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 106' ' ' PRO . 4.0 t80 -58.7 -45.87 88.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.8 mt -60.11 -46.01 91.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.586 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -64.34 -49.66 70.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.688 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.7 p -61.8 -29.46 70.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.9 t -76.47 -16.26 59.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -101.44 -15.83 17.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.432 ' HA ' ' HB3' ' A' ' 119' ' ' LYS . 6.8 m-85 -103.89 -44.18 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.588 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 6.4 ttt180 -38.28 -55.21 2.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.617 0.723 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.6 Cg_endo -69.71 -28.06 25.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 116' ' ' TYR . 7.8 tttt -70.68 -55.45 8.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 21.2 pt -67.58 -32.43 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -56.9 -46.98 81.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -66.69 -35.22 89.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -45.07 71.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.918 ' HB2' HD12 ' A' ' 127' ' ' LEU . 68.7 m-70 -108.55 93.32 11.61 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 0.1 6.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -100.84 -35.76 4.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.918 HD12 ' HB2' ' A' ' 124' ' ' HIS . 23.2 mt -50.58 127.71 18.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 131' ' ' ASP . 4.3 m -96.15 155.92 16.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 39.7 mt -40.39 -35.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -66.58 -39.26 93.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 134' ' ' LYS . 1.6 m-20 -79.93 -61.63 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 131' ' ' ASP . 72.4 t -32.75 -34.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 131' ' ' ASP . . . -77.88 -46.24 21.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 131' ' ' ASP . 8.6 ptpt -56.33 -35.07 67.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 42.1 mttt -68.87 -27.5 65.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' A' ' 113' ' ' CYS . 52.7 mt -82.88 -35.74 25.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -55.87 -39.73 78.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.471 ' O ' ' ND2' ' A' ' 142' ' ' ASN . 11.1 pt-20 -89.17 -41.95 11.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 110.83 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 13.3 mmm -43.52 -49.96 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.586 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 7.5 t-105 -59.73 -52.54 65.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -48.36 -43.67 33.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 138' ' ' GLU . 45.3 m-80 -72.79 -36.0 67.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 22.1 m -52.2 125.93 17.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.54 165.58 9.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.078 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -68.48 -32.22 72.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.95 -49.17 77.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -58.83 -12.47 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.484 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 84.9 mttt -99.86 20.86 13.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.525 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 5.8 tt0 -67.57 -58.15 8.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.624 0.726 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.74 -14.91 36.82 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.297 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -92.73 -52.96 4.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.61 -54.41 43.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 23.5 mmtt -58.95 -41.38 87.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 150' ' ' PRO . 6.4 mmmt -57.11 -58.71 7.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -48.41 -40.13 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -48.34 -47.72 36.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -58.48 -45.01 89.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.28 -45.01 94.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -47.29 -34.15 6.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -57.96 -42.42 84.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -63.52 -20.16 65.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.454 ' O ' HG22 ' A' ' 166' ' ' ILE . 7.7 t80 -91.21 -52.37 4.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -56.62 -31.96 64.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -75.33 -41.64 56.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -66.09 -51.65 56.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 162' ' ' TYR . 10.0 tt -62.26 -22.24 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -60.81 -35.79 77.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -84.44 -34.26 23.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -47.04 -59.81 2.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -64.47 -40.04 94.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -166.51 113.38 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -57.36 123.88 16.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -167.33 162.98 15.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 m -41.11 -48.44 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.98 -110.36 2.37 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -63.96 142.57 58.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.9 p -45.57 -46.92 14.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.2 78.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.9 ttp -69.31 111.47 5.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.05 112.05 1.56 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -114.99 -39.1 3.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 12' ' ' ASP . . . -142.32 -130.89 2.54 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 11' ' ' GLY . 0.5 OUTLIER 32.62 55.0 1.13 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 12' ' ' ASP . 53.6 Cg_endo -69.76 -4.18 13.5 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.734 2.289 . . . . 0.0 112.32 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -81.49 -47.04 13.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 15' ' ' LYS . 3.3 ttpm? -44.41 119.06 3.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.604 0.716 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 149.5 67.22 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -145.03 160.16 41.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.83 -46.19 0.84 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HG3' ' CG ' ' A' ' 78' ' ' TYR . 43.0 mtmt -40.29 108.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.769 0.319 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 19.3 mtp -113.09 143.75 43.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 22' ' ' SER . 4.4 t -86.32 163.8 17.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.438 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 3.7 m -36.36 -62.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.582 ' O ' HG23 ' A' ' 27' ' ' VAL . 47.9 t80 -54.76 -58.72 6.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.975 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.36 -39.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 4.1 m-85 -81.06 -59.81 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.56 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -42.5 -44.26 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.777 HG13 ' SG ' ' A' ' 52' ' ' CYS . 66.0 t -56.78 -35.46 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -89.35 -15.49 33.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 m -77.86 -29.15 50.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 p -82.35 -47.88 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 7.8 ptm180 -47.39 -44.35 24.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 19.7 mt-10 -61.65 -43.02 99.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -57.75 -33.45 68.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' LYS . 8.7 t60 -68.08 -58.65 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -42.1 -25.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.931 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 34' ' ' HIS . 18.6 mmtp -80.08 -42.29 23.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' HIS . 4.3 mmpt? -71.23 -45.41 63.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 9.1 m-70 -134.23 93.49 19.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.711 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.79 -49.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.327 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -59.72 -33.89 72.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.4 122.57 21.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.2 p -99.38 71.06 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 43' ' ' VAL . 4.7 p -42.72 125.1 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.9 136.24 56.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -68.49 -58.89 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.0 m -44.64 -48.65 10.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -66.49 -51.27 58.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -41.38 -40.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.1 t -45.75 -53.19 9.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -52.4 -28.59 20.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.401 ' O ' ' HD2' ' A' ' 55' ' ' ARG . 3.6 tptt -73.38 -55.01 6.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.777 ' SG ' HG13 ' A' ' 27' ' ' VAL . 73.0 m -54.98 -36.77 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.6 p -66.89 -57.7 6.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -58.84 -22.5 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.44 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.0 OUTLIER -86.7 -41.53 14.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.512 ' CD2' ' HE2' ' A' ' 64' ' ' LYS . 74.0 t-105 -67.9 -36.15 79.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 58' ' ' THR . 13.9 ptmt -72.12 -42.6 65.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.478 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 15.2 t -74.64 -40.92 61.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.439 ' N ' HG23 ' A' ' 58' ' ' THR . 3.4 mtm -50.05 122.49 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 p -76.38 175.39 9.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.28 -38.45 65.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 19.0 pttp -52.27 -44.53 65.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 62' ' ' LYS . 5.6 mm-40 -72.32 -58.35 3.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.512 ' HE2' ' CD2' ' A' ' 56' ' ' TRP . 71.2 mttt -53.01 -30.1 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.38 -78.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 67' ' ' PHE . 46.7 pttt -41.51 -49.82 3.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 14.0 m-85 -54.22 -39.49 66.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.72 -34.67 77.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -73.89 -37.86 64.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.6 mtm -69.09 -48.55 62.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' A' ' 22' ' ' SER . . . -58.2 -43.68 87.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 10.0 ptmt -70.23 -35.63 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -57.14 -37.02 71.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.45 ' OD1' ' C ' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -71.97 -33.78 68.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -52.49 -27.14 15.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.65 -61.6 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.058 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.403 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 1.5 ppt_? -50.42 -27.63 6.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.528 ' CG ' ' HG3' ' A' ' 19' ' ' LYS . 3.5 t80 -67.03 -39.01 86.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 80' ' ' ARG . 38.2 mt-10 -43.39 -39.32 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 79' ' ' GLU . 3.1 tmt_? -34.5 -47.7 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.03 -55.74 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.8 ttm -45.05 -25.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -70.98 -46.03 63.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.2 p -69.24 -29.0 66.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -83.78 151.3 25.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 mt -134.81 99.21 12.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.653 0.739 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.26 22.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 169.41 18.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -52.08 109.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -136.93 179.78 17.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -84.6 164.21 18.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.935 0.398 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 93' ' ' LYS . 29.6 m -162.66 160.45 25.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.515 ' N ' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -105.38 157.73 17.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -148.7 133.89 18.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -137.57 133.4 34.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.9 p90 -109.71 113.66 26.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -141.11 152.15 44.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -109.03 72.43 0.48 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.75 37.35 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -70.28 -40.75 74.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -40.22 126.72 1.71 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.567 0.699 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.21 54.22 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.49 144.82 29.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.416 ' CD ' ' H ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -74.63 138.02 74.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.902 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 164.99 32.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.307 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 163.36 38.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 110' ' ' PHE . 68.4 m -118.34 157.68 26.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.443 ' HB1' ' HZ2' ' A' ' 140' ' ' TRP . . . -36.07 -55.13 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.081 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.56 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 8.1 t80 -53.4 -37.87 62.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 107' ' ' SER . 10.4 t80 -69.77 -54.18 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 41.0 mt -50.31 -49.14 54.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.458 ' CE2' ' CZ ' ' A' ' 116' ' ' TYR . 2.1 t80 -60.41 -56.15 24.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.588 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.9 p -57.5 -29.57 64.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.0 t -73.18 -22.45 60.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -94.76 -21.61 18.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.458 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 4.7 m-85 -94.28 -22.13 18.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.645 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 7.3 ttp180 -52.55 -52.04 67.45 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.645 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.7 Cg_endo -69.76 -4.33 13.8 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -98.83 -37.88 9.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.9 pt -89.58 -36.85 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -56.66 -42.45 78.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -71.4 -35.6 63.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -70.76 -43.73 68.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.382 . . . . 0.0 110.901 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.85 ' HB2' HD12 ' A' ' 127' ' ' LEU . 21.9 m-70 -112.28 91.34 16.04 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.632 0.729 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -18.08 37.27 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.644 2.229 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.01 -41.11 10.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.85 HD12 ' HB2' ' A' ' 124' ' ' HIS . 48.6 mt -48.06 127.48 12.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 129' ' ' ILE . 10.3 p -96.25 159.34 15.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 128' ' ' SER . 69.5 mt -36.27 -44.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.05 -54.43 33.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 132' ' ' VAL . 45.3 m-20 -63.77 -59.21 4.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.824 0.345 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 131' ' ' ASP . 91.6 t -35.8 -39.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.37 -51.28 70.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.27 -38.19 39.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -61.51 -26.96 68.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.588 HD13 ' HB2' ' A' ' 113' ' ' CYS . 11.6 mt -91.18 -32.64 15.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.04 -38.75 77.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 139' ' ' MET . 12.0 pt-20 -80.96 -47.38 13.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.458 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 25.0 mtt -39.46 -57.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.56 ' CD1' ' HB2' ' A' ' 109' ' ' PHE . 2.1 t-105 -55.48 -41.5 73.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -65.92 -24.25 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -100.39 28.36 5.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 16.3 m -113.99 150.35 33.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -92.25 153.13 19.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.105 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -51.24 -41.97 60.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.28 -30.95 69.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.84 12.39 7.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -125.07 -16.86 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.644 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 3.0 tp60 -45.43 -51.64 25.96 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.58 0.705 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.5 Cg_endo -69.76 -38.4 7.86 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.3 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -66.8 -25.22 66.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -93.81 -61.2 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -40.66 -38.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -72.05 -47.36 52.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.48 77.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -48.22 -49.21 33.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -48.58 -42.77 34.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 17.4 mt -72.34 -32.41 66.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -59.34 -43.71 92.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -49.74 -46.42 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -61.38 -46.73 88.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.447 ' O ' HG22 ' A' ' 166' ' ' ILE . 10.1 t80 -57.82 -57.96 10.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 167' ' ' ALA . 12.4 mt-10 -47.45 -37.92 12.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -70.97 -46.9 61.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -59.5 -53.45 57.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 167' ' ' ALA . 6.2 tt -64.43 -42.46 95.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 163' ' ' GLU . . . -38.59 -36.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -78.09 -43.73 28.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -50.16 -52.2 37.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -64.98 -40.79 95.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -166.47 110.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -65.4 89.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 m -62.72 174.17 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 110.818 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -72.9 163.88 27.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.76 44.35 1.27 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -139.83 144.7 37.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -86.71 11.38 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.95 74.24 0.4 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 ptp -55.05 -47.75 74.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.1 99.86 2.37 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -97.41 -46.11 6.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.333 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.16 82.46 0.28 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -88.17 139.35 30.47 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.59 0.709 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -8.05 22.62 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.654 2.236 . . . . 0.0 112.351 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -89.5 -45.26 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -51.77 120.71 16.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.564 0.697 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 96.12 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.641 2.227 . . . . 0.0 112.383 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -68.22 152.54 45.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.47 -39.09 0.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 24.7 mttt -51.43 135.42 27.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.71 0.291 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.549 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 8.7 mtm -124.35 173.99 8.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.532 ' H ' ' HB3' ' A' ' 24' ' ' ALA . 74.1 m -105.22 176.43 5.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.8 p -48.43 -57.3 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.521 ' O ' HG23 ' A' ' 27' ' ' VAL . 46.4 t80 -62.46 -55.39 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HB3' ' H ' ' A' ' 21' ' ' SER . . . -46.66 -36.57 7.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.072 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 8.7 m-85 -80.4 -49.17 11.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.511 ' CE1' ' SD ' ' A' ' 59' ' ' MET . 0.5 OUTLIER -51.63 -28.99 16.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 23' ' ' TYR . 98.6 t -72.51 -29.99 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -92.12 -23.86 19.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -71.11 -24.03 62.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 95.8 m -91.64 -37.38 13.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 7.9 ptm180 -65.04 -43.39 92.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 31' ' ' ARG . 31.5 mt-10 -66.83 -45.87 76.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -64.41 -30.91 71.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' LYS . 39.0 t60 -63.55 -70.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -38.99 -26.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -76.54 -42.24 43.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' HIS . 32.9 mmtt -82.04 -47.91 12.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.958 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 33.1 m-70 -134.51 93.22 18.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 0.0 110.821 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -46.91 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -100.94 36.92 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.958 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . . . -83.68 30.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.5 t 41.63 47.24 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.9 p -79.24 128.19 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -103.74 136.66 43.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -67.1 -44.56 79.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -60.27 -43.78 95.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -67.4 -52.7 36.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -49.34 -35.82 19.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.2 t -63.11 -52.54 62.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 51' ' ' LYS . 21.0 pttt -68.19 -32.01 71.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 27.6 mtmt -67.9 -43.49 79.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.444 ' HB3' HG22 ' A' ' 27' ' ' VAL . 8.7 m -58.67 -35.65 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.4 t -66.21 -58.36 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.89 -17.04 62.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.4 mtt85 -92.49 -23.97 18.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.479 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 59.3 t-105 -83.32 -34.29 25.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -23.47 58.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.9 t -91.05 -28.44 17.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.511 ' SD ' ' CE1' ' A' ' 26' ' ' PHE . 13.9 mtp -57.04 111.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 t -52.95 161.16 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.09 -38.99 55.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -57.03 -39.57 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -70.35 -41.48 73.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 56' ' ' TRP . 80.5 mttt -71.46 -26.63 62.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.53 -67.48 1.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -50.43 -37.53 38.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.684 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 29.4 m-85 -70.19 -27.22 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.93 -37.41 62.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -75.94 -56.06 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.684 ' HE3' ' HA ' ' A' ' 67' ' ' PHE . 9.6 ptp -53.32 -38.15 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.07 92.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -67.08 -30.82 70.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.8 -23.86 67.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 75' ' ' LYS . 2.0 p-10 -60.6 -24.59 65.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.461 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 2.9 ptmm? -54.57 -21.54 10.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.02 -64.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -47.77 -22.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.563 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -78.06 -35.05 50.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -57.39 -20.82 32.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 80' ' ' ARG . 13.2 mtp-105 -54.14 -38.33 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -73.84 -25.49 60.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.6 mtp -70.32 -8.53 51.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -73.65 -47.75 37.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.9 t -72.7 -6.72 46.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -50.26 120.22 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 38.8 mt -122.58 105.21 36.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 169.84 17.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 168.33 21.89 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -62.35 116.8 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 175.43 42.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -57.48 120.52 8.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.931 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.2 p -63.62 127.82 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -113.43 41.78 2.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -49.57 162.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -121.36 31.46 6.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -164.22 142.65 7.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -112.16 160.46 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.79 79.1 5.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.707 . . . . 0.0 110.83 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -16.23 37.32 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.42 -41.99 72.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.65 131.89 85.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.563 0.697 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 171.02 15.21 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.557 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -118.37 172.01 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.92 135.18 20.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 164.35 34.88 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.348 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 169.35 19.07 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.355 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 110' ' ' PHE . 3.7 p -112.15 154.73 25.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -35.38 -46.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.591 ' CE1' ' SG ' ' A' ' 113' ' ' CYS . 12.7 t80 -64.5 -44.66 90.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 107' ' ' SER . 27.6 t80 -63.06 -44.3 96.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.5 mt -56.16 -61.97 2.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.557 ' CB ' ' CZ3' ' A' ' 140' ' ' TRP . 0.6 OUTLIER -50.16 -45.65 53.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.591 ' SG ' ' CE1' ' A' ' 109' ' ' PHE . 89.8 m -61.96 -42.7 99.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 t -67.29 -8.52 32.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -99.3 -35.02 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.459 ' CZ ' ' CE2' ' A' ' 112' ' ' PHE . 2.8 m-85 -86.6 -34.97 19.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.615 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 7.9 ttt180 -35.51 -53.29 1.32 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 54.1 Cg_endo -69.73 -31.81 19.9 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 116' ' ' TYR . 0.0 OUTLIER -74.78 -24.99 58.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.666 ' CD1' HG13 ' A' ' 132' ' ' VAL . 47.2 pt -97.53 -33.46 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.43 ' N ' HG13 ' A' ' 120' ' ' ILE . 35.9 ttpt -60.63 -54.07 49.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -56.28 -24.74 46.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -85.18 -51.28 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.385 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -111.62 88.68 9.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -11.74 31.43 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.258 . . . . 0.0 112.36 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -80.11 -43.4 9.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.51 HD13 ' HD3' ' A' ' 135' ' ' LYS . 92.6 mt -56.87 135.89 55.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.9 t -109.33 176.98 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 39.0 mt -44.75 -41.36 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.11 -58.65 9.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 132' ' ' VAL . 66.1 m-20 -65.22 -61.28 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.666 HG13 ' CD1' ' A' ' 120' ' ' ILE . 43.4 t -33.85 -50.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.6 -49.59 61.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 131' ' ' ASP . 1.4 tmtp? -53.38 -35.64 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.51 ' HD3' HD13 ' A' ' 127' ' ' LEU . 1.2 mptp? -68.96 -23.31 64.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.531 HD13 ' HB3' ' A' ' 113' ' ' CYS . 21.0 mt -93.01 -24.2 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.77 -43.09 96.72 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -70.26 -45.95 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 15.6 mtm -49.22 -46.11 45.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.557 ' CZ3' ' CB ' ' A' ' 112' ' ' PHE . 2.1 t-105 -61.67 -40.01 93.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -63.49 -41.46 98.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -76.37 -34.36 58.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.4 m -52.84 129.82 31.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.6 145.14 52.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.72 -47.09 67.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -40.22 62.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.17 -22.47 66.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.537 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 43.7 mttt -86.86 2.56 48.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.505 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.0 tt0 -47.96 -59.45 5.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.706 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.5 Cg_endo -69.74 -18.3 37.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 112' ' ' PHE . 14.7 m-85 -84.06 -28.93 27.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -92.72 -55.21 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -45.76 -40.76 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.65 -47.53 63.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.877 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.29 -11.33 2.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -81.51 -69.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -46.43 -41.85 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.6 -36.68 84.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -70.69 -27.53 64.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -66.2 -47.89 72.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -64.8 -12.31 46.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 103' ' ' LYS . 11.8 t80 -89.87 -67.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 167' ' ' ALA . 5.2 mm-40 -49.69 -36.5 25.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -70.04 -40.99 74.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -67.36 -54.97 15.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 7.5 tt -63.71 -23.62 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 163' ' ' GLU . . . -61.07 -20.26 62.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -101.45 -28.18 12.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -59.39 -46.46 88.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -80.05 -39.35 29.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -113.65 81.15 1.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -65.2 141.97 58.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m 62.79 42.86 7.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -128.36 176.46 7.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.98 -115.03 0.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 p -108.46 135.81 49.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -118.62 89.42 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.53 108.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.2 mtm -115.92 142.69 46.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.32 121.94 3.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -103.26 -28.55 11.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.42 -146.92 16.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -57.53 143.43 74.99 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.585 0.707 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -2.4 10.09 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -49.8 23.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.499 ' HG3' ' CZ ' ' A' ' 85' ' ' TYR . 35.1 ttmt -47.84 114.07 3.04 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.552 0.692 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.596 ' HD2' ' CD2' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.73 145.59 57.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -93.82 24.15 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.74 -156.42 22.49 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 2.7 mtmp? -92.91 -175.68 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.475 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 40.8 mtp -128.18 147.5 50.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -97.1 164.61 12.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.454 ' HB2' ' CH2' ' A' ' 56' ' ' TRP . 3.5 p -42.78 -43.68 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CE2' HG21 ' A' ' 27' ' ' VAL . 51.9 t80 -67.46 -58.0 5.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.06 -36.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 3.6 m-85 -86.78 -40.59 14.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 56' ' ' TRP . 0.5 OUTLIER -60.43 -28.58 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.61 HG21 ' CE2' ' A' ' 23' ' ' TYR . 62.0 t -78.88 -28.52 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -92.07 -20.1 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.1 m -84.74 -54.34 4.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.3 m -61.89 -20.42 63.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 8.9 ptm180 -86.45 -45.66 10.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 0.6 OUTLIER -66.56 -40.51 89.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.56 -41.36 85.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 37' ' ' LYS . 25.1 t60 -55.79 -60.4 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -41.81 -28.8 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -87.05 -33.24 19.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.0 mmpt? -71.72 -35.26 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.466 ' CD2' ' HB3' ' A' ' 37' ' ' LYS . 9.2 m-70 -155.52 105.07 2.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 110.856 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 54.1 Cg_endo -69.77 -44.14 2.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -53.76 -40.08 65.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.54 114.75 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' VAL . 5.0 t -95.97 49.71 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' SER . 2.8 p -37.87 137.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 23.2 m-20 -82.47 108.35 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 3.1 p90 -46.84 -21.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 t -86.61 -40.12 15.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 48' ' ' PHE . 8.5 pt-20 -72.99 -47.52 44.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.479 ' N ' ' CG ' ' A' ' 47' ' ' GLU . 30.8 t80 -52.53 -41.83 63.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' CYS . 16.1 t -63.5 -69.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -40.73 -25.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' SER . 11.2 tttt -82.21 -42.22 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' SER . 4.8 m -48.35 -29.42 3.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.5 t -61.85 -72.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -13.12 61.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' C ' HG22 ' A' ' 58' ' ' THR . 18.7 ttt-85 -85.31 -24.42 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.567 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 16.3 t-105 -81.66 -47.21 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -64.89 -45.5 85.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.433 HG22 ' C ' ' A' ' 55' ' ' ARG . 8.5 t -49.74 -37.4 29.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.7 mtm -52.53 161.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.5 m -103.75 155.86 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.5 -34.68 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -47.97 81.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.16 -31.61 72.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 87.8 mttt -82.02 -25.07 35.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -43.61 -65.86 1.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.435 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -51.7 -42.46 62.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.449 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 12.0 m-85 -64.2 -30.25 71.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -79.79 -36.49 37.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -72.65 -27.51 62.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.789 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.0 ptp -81.78 -27.55 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.58 -41.6 19.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 25.6 pttt -57.44 -38.01 73.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -76.66 -22.01 54.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.403 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 0.2 OUTLIER -83.8 -6.25 59.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 75' ' ' LYS . 4.6 tmtm? -79.71 -13.74 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -116.04 -32.08 5.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.403 ' CG ' ' HA ' ' A' ' 74' ' ' ASP . 0.1 OUTLIER -71.34 -19.38 62.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.478 ' CD2' ' HG3' ' A' ' 19' ' ' LYS . 1.9 p90 -67.58 -29.53 68.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -60.88 -35.74 77.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.9 ttp85 -60.06 -48.34 82.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.63 ' O ' HG22 ' A' ' 84' ' ' THR . 39.0 mt-10 -52.06 -30.55 26.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.9 mtp -57.57 -11.89 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -78.2 -36.93 46.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 81' ' ' GLU . 15.3 t -83.58 -0.78 51.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.612 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -92.8 103.23 15.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.0 mt -112.51 98.57 44.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.497 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.81 169.82 18.08 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 89' ' ' LYS . 53.6 Cg_endo -69.77 -179.77 3.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 88' ' ' PRO . 8.8 tptm -34.1 99.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.25 -83.62 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -120.55 175.84 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.387 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.9 p -140.92 122.55 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -124.66 162.22 24.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -122.15 134.13 54.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -113.55 158.14 21.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -96.37 176.98 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -123.76 149.02 46.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.543 ' HB2' ' HB2' ' A' ' 101' ' ' ALA . 8.2 p30 -130.06 100.8 18.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.882 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -38.76 7.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.23 . . . . 0.0 112.367 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.587 ' O ' ' CE1' ' A' ' 169' ' ' TYR . 15.9 m-80 -87.24 24.03 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.666 ' HB1' ' HD2' ' A' ' 102' ' ' PRO . . . -92.96 163.57 24.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.666 ' HD2' ' HB1' ' A' ' 101' ' ' ALA . 53.4 Cg_endo -69.81 161.7 44.93 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.719 2.279 . . . . 0.0 112.301 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 22.8 mtmt -70.18 163.8 25.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -96.34 147.03 32.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.554 0.692 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 166.7 26.67 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 155.45 65.72 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.374 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 110' ' ' PHE . 25.5 p -111.36 160.38 17.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' SER . . . -35.31 -42.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.517 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 9.0 t80 -61.39 -46.81 88.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 107' ' ' SER . 17.3 t80 -61.32 -47.21 86.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.1 mt -54.55 -46.58 73.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 113' ' ' CYS . 1.1 t80 -67.83 -60.32 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.547 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 1.5 p -50.81 -30.4 14.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.2 t -83.3 -27.81 29.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.445 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -81.31 -27.11 35.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.551 ' CD2' ' HD3' ' A' ' 119' ' ' LYS . 3.1 m-85 -93.33 -31.42 14.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.626 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 6.9 ttt180 -36.0 -53.31 1.54 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.4 Cg_endo -69.77 -32.96 17.51 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.26 . . . . 0.0 112.33 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.551 ' HD3' ' CD2' ' A' ' 116' ' ' TYR . 6.3 ptmt -74.57 -23.07 58.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.569 ' CD1' HG13 ' A' ' 132' ' ' VAL . 45.5 pt -96.14 -34.76 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.467 ' N ' HG13 ' A' ' 120' ' ' ILE . 0.0 OUTLIER -57.38 -53.91 52.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.793 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -56.43 -36.48 70.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -71.75 -44.25 64.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.509 ' CB ' HD12 ' A' ' 127' ' ' LEU . 17.0 m-70 -115.24 89.8 22.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.59 0.709 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -18.15 37.06 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.262 . . . . 0.0 112.34 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -78.06 -45.03 10.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.713 HD22 ' HB3' ' A' ' 131' ' ' ASP . 72.4 mt -56.53 130.19 44.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' ILE . 77.6 p -106.23 170.06 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.81 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' SER . 94.2 mt -35.22 -45.36 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -58.69 -61.56 7.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.713 ' HB3' HD22 ' A' ' 127' ' ' LEU . 30.5 m-20 -65.62 -58.45 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 120' ' ' ILE . 93.5 t -35.3 -39.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.36 -44.18 62.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 131' ' ' ASP . 5.9 mmmm -61.16 -19.01 61.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -85.01 -25.56 27.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.554 HD21 HD13 ' A' ' 120' ' ' ILE . 7.3 mt -92.81 -20.49 20.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.33 -39.4 95.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -80.0 -44.01 20.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 4.5 mtt -42.14 -47.51 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.517 ' CE2' ' HA ' ' A' ' 109' ' ' PHE . 4.7 t-105 -63.91 -46.87 82.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -52.91 -34.26 54.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -102.28 31.51 3.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 45.9 m -107.73 134.67 50.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -73.43 140.81 46.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -51.45 -39.17 56.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -37.37 73.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -69.59 -19.51 63.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 152' ' ' GLU . 64.7 mttt -90.73 2.64 55.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.513 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.1 tt0 -48.63 -59.24 6.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.8 Cg_endo -69.76 -27.32 26.61 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -80.95 -20.54 41.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 148' ' ' LYS . 8.8 mt-10 -93.29 -54.45 3.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 86.7 mttt -54.28 -48.87 70.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 13.5 tttp -55.68 -57.02 13.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -38.66 -38.58 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -51.67 -64.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -41.3 -61.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 79.7 mt -45.0 -40.92 6.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -44.27 -40.55 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -50.36 -48.74 55.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -51.51 -29.5 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 103' ' ' LYS . 55.4 t80 -86.92 -53.61 4.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -51.32 -33.66 30.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -77.65 -42.08 36.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -65.99 -30.5 71.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 162' ' ' TYR . 15.0 tt -84.18 -38.41 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 170' ' ' ARG . . . -47.97 -21.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -97.03 -25.09 15.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 100' ' ' ASN . 2.6 t80 -61.19 -49.01 78.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 167' ' ' ALA . 0.0 OUTLIER -91.04 -28.81 17.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.46 ' N ' ' HG2' ' A' ' 170' ' ' ARG . . . -133.96 67.56 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.057 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.11 -31.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -115.08 171.49 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -64.49 -48.89 73.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.8 -174.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -150.6 147.6 27.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.913 0.387 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 p -40.53 157.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.67 114.95 0.34 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.9 ptm -102.71 167.04 10.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.08 99.6 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.56 25.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.96 86.25 0.65 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -107.82 150.5 40.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 2.09 3.86 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.28 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 15' ' ' LYS . 26.9 mmmt -63.86 -47.77 79.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' LYS . 11.4 tptm -34.15 132.03 0.4 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.561 0.696 . . . . 0.0 110.913 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.54 63.36 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.738 2.292 . . . . 0.0 112.371 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -106.53 39.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.93 -76.95 0.17 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.438 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.596 ' HE3' ' CE2' ' A' ' 78' ' ' TYR . 7.2 pttp -38.09 149.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.56 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 34.2 mtp -139.84 145.87 38.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -71.23 166.66 21.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.3 p -43.28 -52.17 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.612 ' O ' HG23 ' A' ' 27' ' ' VAL . 67.9 t80 -66.33 -57.39 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.43 -42.87 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 2.3 m-85 -77.58 -61.59 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.454 ' CE1' ' SD ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -40.74 -48.5 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' TYR . 81.6 t -46.98 -38.8 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 6.6 tt0 -88.18 -41.66 12.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 m -47.28 -37.76 11.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.7 m -77.02 -48.62 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.523 HH21 HG12 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -55.09 -33.44 62.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.842 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -75.01 -52.34 11.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -50.96 -40.21 57.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LYS . 20.7 t60 -60.91 -69.79 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' HIS . 2.3 mptm? -36.36 -32.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -73.5 -49.51 26.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 34' ' ' HIS . 52.2 mmtt -66.56 -43.98 83.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 13.8 m-70 -134.17 94.03 18.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.588 0.709 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 53.9 Cg_endo -69.69 -47.34 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.734 2.289 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -59.84 -38.46 82.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.57 132.47 21.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 t -100.88 99.8 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 43' ' ' VAL . 9.9 p -94.97 117.79 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 11.2 m-80 -63.84 151.88 41.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -76.94 -39.3 51.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 t -72.7 -40.22 66.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 48' ' ' PHE . 9.4 pt-20 -62.14 -46.17 90.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.498 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 5.1 t80 -66.18 -32.79 74.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 t -72.37 -62.98 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -50.32 -37.11 35.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' SER . 30.1 mttp -71.69 -56.52 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' LYS . 4.8 m -36.37 -30.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' LYS . 35.8 t -65.57 -71.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -61.45 -22.52 65.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -80.56 -29.31 37.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.467 ' CZ2' ' HD3' ' A' ' 64' ' ' LYS . 13.5 t-105 -76.2 -40.13 52.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -66.91 -45.2 78.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.8 t -58.2 -35.33 71.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.454 ' SD ' ' CE1' ' A' ' 26' ' ' PHE . 28.1 mtp -50.43 127.87 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.5 p -65.77 165.02 13.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.41 -38.7 69.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.492 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 33.0 pttt -60.89 -38.26 85.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.492 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 6.6 mm-40 -69.08 -42.48 76.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' HD3' ' CZ2' ' A' ' 56' ' ' TRP . 79.0 mttt -72.26 -34.48 68.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -39.61 -71.57 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.441 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -43.77 -52.72 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 23.2 m-85 -52.32 -42.37 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.87 -48.15 82.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.04 -39.48 78.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.4 mtm -66.73 -55.44 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.16 -51.36 68.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 25.7 pttt -59.58 -43.84 93.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.469 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -61.81 -39.28 91.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.064 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.64 -35.05 67.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -45.25 -28.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.35 -68.38 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.449 ' HD2' ' N ' ' A' ' 78' ' ' TYR . 1.2 ppt_? -43.49 -37.39 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.596 ' CE2' ' HE3' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -48.85 -45.41 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -41.14 -31.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 81' ' ' GLU . 11.0 ptm180 -53.61 -46.38 70.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.475 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 6.4 mm-40 -49.7 -38.04 31.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.478 ' O ' ' CB ' ' A' ' 85' ' ' TYR . 30.1 tpp -36.88 -44.0 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -41.43 -51.2 3.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.2 p -62.16 -29.04 70.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 82' ' ' MET . 2.7 t80 -40.96 137.69 1.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.422 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 19.7 mt -132.1 101.85 14.84 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.659 0.742 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.41 18.97 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 170.51 16.38 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -55.61 102.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.3 159.82 23.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.82 139.17 46.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.384 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 34.5 p -146.29 155.34 42.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -90.33 155.07 19.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -106.14 143.62 34.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -110.7 177.55 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -118.74 109.21 15.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -144.13 162.44 36.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.24 110.84 4.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.731 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 100' ' ' ASN . 53.8 Cg_endo -69.76 -50.12 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.327 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 101' ' ' ALA . 59.8 m-80 -38.25 -51.49 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 100' ' ' ASN . . . -33.59 128.37 0.41 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.535 0.683 . . . . 0.0 111.09 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 130.62 19.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.314 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.502 ' O ' ' CD1' ' A' ' 162' ' ' TYR . 0.0 OUTLIER -75.84 -175.4 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.16 148.82 38.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.561 0.696 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.55 24.1 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.405 ' HB3' ' CD2' ' A' ' 110' ' ' PHE . 53.5 Cg_endo -69.84 142.87 48.74 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.85 165.84 12.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.51 -45.53 3.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.534 ' HB2' ' CD1' ' A' ' 140' ' ' TRP . 19.6 t80 -58.64 -42.68 88.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' A' ' 114' ' ' SER . 25.7 t80 -68.81 -45.81 70.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.99 -37.09 78.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.585 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -74.1 -56.73 4.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.723 ' HB2' HD13 ' A' ' 136' ' ' LEU . 4.9 p -61.43 -31.2 71.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 110' ' ' PHE . 84.5 p -69.06 -24.15 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -95.51 -21.95 17.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.575 ' CE2' ' CE2' ' A' ' 112' ' ' PHE . 3.2 m-85 -89.22 -36.65 15.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.638 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 15.9 ttp180 -41.34 -52.21 7.81 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.72 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.5 Cg_endo -69.81 -19.99 35.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.316 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -81.14 -46.79 14.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 121' ' ' LYS . 11.6 pt -75.77 -44.11 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.166 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.482 ' CD ' ' HA ' ' A' ' 118' ' ' PRO . 17.0 ptmt -40.09 -37.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.446 ' N ' ' HG3' ' A' ' 121' ' ' LYS . . . -78.98 -49.66 6.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.532 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -55.64 -42.8 75.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.42 ' HB2' HD12 ' A' ' 127' ' ' LEU . 37.2 m-70 -113.42 96.97 41.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.7 Cg_endo -69.77 -18.36 37.01 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -78.07 -47.86 8.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.563 ' HB3' HG22 ' A' ' 132' ' ' VAL . 41.2 mt -48.65 116.19 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.326 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.496 ' O ' HG23 ' A' ' 132' ' ' VAL . 1.0 OUTLIER -89.07 166.5 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 128' ' ' SER . 34.6 mt -36.95 -48.1 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.33 -65.96 2.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 132' ' ' VAL . 0.9 OUTLIER -48.57 -59.26 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 127' ' ' LEU . 93.0 t -35.04 -56.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.552 ' HA ' HD12 ' A' ' 136' ' ' LEU . . . -55.95 -53.72 53.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 134' ' ' LYS . 0.9 OUTLIER -50.51 -30.68 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 138' ' ' GLU . 3.9 tppp? -68.26 -33.48 74.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.723 HD13 ' HB2' ' A' ' 113' ' ' CYS . 8.6 mt -75.84 -15.64 60.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.91 -47.76 89.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 139' ' ' MET . 2.2 pm0 -78.94 -35.38 43.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.435 ' N ' ' HG2' ' A' ' 138' ' ' GLU . 2.9 mtt -46.3 -45.32 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.585 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 2.0 t-105 -68.99 -44.95 71.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -53.87 -45.96 71.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -70.31 -40.02 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 98.3 m -50.55 140.0 14.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -84.95 150.07 25.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -49.17 -46.11 44.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -47.14 -52.4 15.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.54 -24.15 44.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.569 ' HG2' ' CH2' ' A' ' 140' ' ' TRP . 53.7 mttt -91.12 18.33 6.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.549 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.9 tt0 -67.34 -57.55 10.41 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 53.6 Cg_endo -69.77 -33.33 16.75 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.373 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -68.17 -38.42 82.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 153' ' ' LYS . 58.3 mt-10 -78.54 -63.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 152' ' ' GLU . 43.9 mmtt -37.81 -58.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -50.87 -55.98 14.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.68 -45.41 58.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 153' ' ' LYS . . . -45.69 -52.94 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -48.63 -57.8 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 159' ' ' LYS . 16.0 mt -47.19 -52.31 16.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 158' ' ' LEU . 18.8 ttpp -37.71 -54.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 164' ' ' LYS . 14.9 mm-40 -38.46 -58.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -49.04 -46.28 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.513 ' O ' HG22 ' A' ' 166' ' ' ILE . 4.9 t80 -64.68 -55.88 17.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -45.52 -41.79 10.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 167' ' ' ALA . 9.6 mmpt? -67.04 -56.38 10.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -48.81 -55.36 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 162' ' ' TYR . 8.8 tt -60.96 -40.0 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 164' ' ' LYS . . . -41.4 -43.82 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -79.53 -43.34 23.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -39.42 -58.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -74.06 -45.97 46.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -101.47 80.5 2.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -73.46 102.69 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 179.903 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -58.42 92.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.885 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -100.63 -51.91 3.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.58 114.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.427 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -141.02 121.27 13.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.862 0.363 . . . . 0.0 110.876 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -150.8 165.88 32.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.09 83.64 0.29 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.31 174.47 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.42 138.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -112.23 -44.08 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.16 92.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -38.87 152.29 0.18 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' LYS . 53.4 Cg_endo -69.83 -22.56 31.6 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HE3' ' N ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -35.29 -64.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -46.24 108.04 0.77 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.43 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -41.09 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.557 ' HA2' ' CE1' ' A' ' 78' ' ' TYR . . . -172.85 -164.21 27.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.527 ' HG3' ' CD2' ' A' ' 78' ' ' TYR . 14.4 mtmm -84.34 173.18 11.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.518 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 23.5 mtp -132.14 141.88 49.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 m -89.7 177.23 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.445 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 3.5 m -47.52 -55.42 9.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.486 ' CE2' HG21 ' A' ' 27' ' ' VAL . 48.2 t80 -60.56 -62.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 23' ' ' TYR . . . -35.44 -42.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.102 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 20' ' ' MET . 5.7 m-85 -77.97 -60.93 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -41.57 -49.7 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.486 HG21 ' CE2' ' A' ' 23' ' ' TYR . 81.5 t -47.08 -36.97 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.164 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.61 -31.51 16.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.9 m -58.97 -22.49 60.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.1 m -93.09 -34.58 13.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 2.5 ptp180 -67.2 -38.41 85.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 45.6 mt-10 -69.89 -44.69 69.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -58.14 -41.04 82.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 37' ' ' LYS . 10.1 t60 -62.56 -60.66 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -42.27 -28.02 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -81.74 -41.04 21.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.2 mmpt? -66.68 -39.33 88.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -153.84 105.99 2.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.693 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -53.87 -42.18 68.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.834 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -38.06 102.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -81.4 49.17 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -42.98 145.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 47' ' ' GLU . 6.6 m-80 -82.89 103.59 12.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.479 ' CG ' ' N ' ' A' ' 46' ' ' SER . 8.0 p90 -48.83 -44.75 39.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 80.6 p -58.05 -39.8 79.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 44' ' ' ASN . 21.3 mm-40 -73.76 -39.88 63.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -58.42 -17.12 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 t -84.54 -63.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -27.94 35.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -73.1 -55.69 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.2 m -41.1 -32.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -60.03 -70.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.19 -17.93 65.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -82.82 -27.55 30.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.495 ' CE2' ' HE2' ' A' ' 64' ' ' LYS . 9.8 t-105 -79.09 -45.95 19.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -64.59 -45.58 86.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 59' ' ' MET . 8.7 t -55.46 -43.0 75.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.441 ' N ' HG23 ' A' ' 58' ' ' THR . 7.3 mtm -41.96 130.65 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.466 ' HB3' ' CD ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -60.33 170.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.81 -53.31 59.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.541 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -52.92 -32.85 47.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.541 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 3.7 mm-40 -71.19 -32.42 68.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HE2' ' CE2' ' A' ' 56' ' ' TRP . 72.8 mttt -81.68 -39.24 24.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -38.02 -69.58 0.33 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -43.15 -51.44 5.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.5 ' CE1' ' HA ' ' A' ' 26' ' ' PHE . 13.8 m-85 -55.62 -40.96 72.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -59.27 -34.43 72.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -75.23 -40.32 59.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.5 mtm -64.25 -49.81 70.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.445 ' HB2' ' HA ' ' A' ' 22' ' ' SER . . . -60.56 -52.63 64.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -34.04 73.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.72 82.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.448 ' OD1' ' C ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -56.14 -36.96 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -43.75 -24.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 74' ' ' ASP . . . -89.02 -67.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.411 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 3.5 ppt_? -44.15 -27.39 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.557 ' CE1' ' HA2' ' A' ' 18' ' ' GLY . 22.3 t80 -67.46 -58.75 4.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -45.7 -42.54 11.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.6 tpp85 -53.92 -63.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -40.63 -47.92 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 23.7 ttm -68.56 -40.09 80.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.57 -54.77 5.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.7 t -74.15 -39.83 63.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.4 ' C ' HG13 ' A' ' 86' ' ' ILE . 62.6 t80 -60.53 146.68 44.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.412 HD12 ' CD ' ' A' ' 99' ' ' PRO . 27.6 mt -140.79 105.46 6.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.603 0.716 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.52 21.35 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.722 2.282 . . . . 0.0 112.31 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' LYS . 54.2 Cg_endo -69.76 179.86 3.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' PRO . 3.6 tppp? -34.7 100.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -130.14 -105.63 1.13 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.9 pm0 -105.22 170.03 8.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.945 0.403 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.7 p -84.92 130.37 34.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -156.76 158.07 36.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.509 ' HD2' ' CZ ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -55.08 163.26 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -72.69 126.29 29.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.509 ' CZ ' ' HD2' ' A' ' 94' ' ' LYS . 47.6 m-85 -109.42 -178.93 3.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -41.95 157.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -107.56 80.08 0.89 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.412 ' CD ' HD12 ' A' ' 86' ' ' ILE . 54.0 Cg_endo -69.71 -16.19 37.63 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.705 2.27 . . . . 0.0 112.386 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.51 73.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.49 ' HA ' ' CZ ' ' A' ' 169' ' ' TYR . . . -104.11 152.29 39.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.076 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 123.9 10.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.681 2.254 . . . . 0.0 112.38 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -104.39 160.28 15.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 103' ' ' LYS . 4.8 ppt_? -33.95 145.62 0.15 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.616 0.722 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.94 17.73 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 160.42 49.76 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.71 2.273 . . . . 0.0 112.316 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.3 p -102.28 166.52 10.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.52 -40.9 39.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.472 ' HA ' ' CE2' ' A' ' 140' ' ' TRP . 10.8 t80 -59.69 -45.51 91.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.91 -47.11 87.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 66.7 mt -61.05 -40.76 94.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.633 ' CG ' ' CZ3' ' A' ' 140' ' ' TRP . 0.5 OUTLIER -68.26 -55.72 11.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.754 ' HB2' HD13 ' A' ' 136' ' ' LEU . 1.4 p -63.33 -30.86 71.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -69.41 -22.76 63.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -99.22 -15.53 18.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -95.1 -36.41 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.58 ' N ' ' HD2' ' A' ' 118' ' ' PRO . 2.6 ttm180 -46.16 -55.86 12.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 53.4 Cg_endo -69.77 -4.62 14.4 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 120' ' ' ILE . 5.0 ttmm -98.08 -58.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.62 ' CD1' HG13 ' A' ' 132' ' ' VAL . 22.7 pt -62.4 -36.02 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.548 ' HB3' ' HZ2' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -56.89 -53.45 57.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.808 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -60.12 -48.65 85.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -61.27 -41.49 97.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.854 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.453 ' HB2' HD12 ' A' ' 127' ' ' LEU . 96.8 m-70 -115.95 94.76 42.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.708 . . . . 0.0 110.837 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 124' ' ' HIS . 53.8 Cg_endo -69.79 -29.81 23.14 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.234 . . . . 0.0 112.309 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -56.05 -50.56 60.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.453 HD12 ' HB2' ' A' ' 124' ' ' HIS . 38.9 mt -51.6 -174.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 129' ' ' ILE . 8.1 t -165.5 169.36 15.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 128' ' ' SER . 53.9 mt -34.32 -41.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.29 -62.49 3.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 132' ' ' VAL . 0.8 OUTLIER -60.06 -59.36 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.843 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.62 HG13 ' CD1' ' A' ' 120' ' ' ILE . 96.7 t -34.61 -54.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.52 -59.77 3.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.054 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -35.14 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -61.38 -39.65 91.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.754 HD13 ' HB2' ' A' ' 113' ' ' CYS . 25.9 mt -82.47 -24.32 34.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.59 -41.26 99.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 139' ' ' MET . 6.8 pt-20 -85.76 -35.43 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.444 ' N ' ' HG3' ' A' ' 138' ' ' GLU . 52.7 mtp -52.11 -58.72 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.633 ' CZ3' ' CG ' ' A' ' 112' ' ' PHE . 8.6 t-105 -52.93 -46.03 67.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -52.84 -41.77 64.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -97.6 40.49 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.436 ' CG2' ' HB3' ' A' ' 147' ' ' ASP . 26.2 m -114.43 138.76 50.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.4 161.83 25.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.73 84.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.65 -51.88 58.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.436 ' HB3' ' CG2' ' A' ' 143' ' ' THR . 29.7 t0 -57.66 -19.14 24.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.473 ' NZ ' ' CE2' ' A' ' 140' ' ' TRP . 53.7 mttm -98.87 15.93 23.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.536 ' N ' ' HD2' ' A' ' 150' ' ' PRO . 6.0 tt0 -64.0 -58.15 15.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.565 0.697 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 149' ' ' GLN . 54.1 Cg_endo -69.78 -37.2 9.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 112' ' ' PHE . 47.1 m-85 -65.7 -38.61 89.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -77.88 -64.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -38.67 -57.76 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -52.1 -53.45 42.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -44.61 -47.44 10.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -47.99 -45.78 32.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -60.97 -47.81 84.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 17.8 mt -49.57 -44.25 46.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -42.92 -55.87 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.77 -46.86 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -58.17 -32.59 68.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.486 ' O ' HG22 ' A' ' 166' ' ' ILE . 2.1 t80 -71.83 -53.61 12.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -57.0 -32.25 65.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -75.13 -50.18 17.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -54.7 -49.72 70.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 162' ' ' TYR . 5.8 tt -64.89 -37.08 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -47.32 -46.33 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 169' ' ' TYR . . . -86.87 -36.57 18.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.49 ' CZ ' ' HA ' ' A' ' 101' ' ' ALA . 72.7 t80 -37.08 -56.28 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -77.83 -42.68 32.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -80.46 50.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -53.34 -49.53 66.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 179.928 . . . . . . . . 0 0 . 1 stop_ save_